data_nef_c18193_2lqk save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 18121 BMRB 18151 BMRB 18194 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 ALA start . . 2 A 2 GLY middle . false 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 LYS middle . . 6 A 6 GLU middle . . 7 A 7 PHE middle . . 8 A 8 ARG middle . . 9 A 9 PRO middle . false 10 A 10 GLY middle . false 11 A 11 ASP middle . . 12 A 12 LYS middle . . 13 A 13 VAL middle . . 14 A 14 VAL middle . . 15 A 15 LEU middle . . 16 A 16 PRO middle . false 17 A 17 PRO middle . true 18 A 18 TYR middle . . 19 A 19 GLY middle . false 20 A 20 VAL middle . . 21 A 21 GLY middle . false 22 A 22 VAL middle . . 23 A 23 VAL middle . . 24 A 24 ALA middle . . 25 A 25 GLY middle . false 26 A 26 ILE middle . . 27 A 27 ALA middle . . 28 A 28 GLN middle . . 29 A 29 ARG middle . . 30 A 30 SER middle . . 31 A 31 VAL middle . . 32 A 32 SER middle . . 33 A 33 GLY middle . false 34 A 34 VAL middle . . 35 A 35 SER middle . . 36 A 36 ARG middle . . 37 A 37 ALA middle . . 38 A 38 TYR middle . . 39 A 39 TYR middle . . 40 A 40 GLN middle . . 41 A 41 VAL middle . . 42 A 42 ASP middle . . 43 A 43 PHE middle . . 44 A 44 PRO middle . false 45 A 45 GLY middle . false 46 A 46 SER middle . . 47 A 47 ARG middle . . 48 A 48 SER middle . . 49 A 49 LYS middle . . 50 A 50 ALA middle . . 51 A 51 TYR middle . . 52 A 52 VAL middle . . 53 A 53 PRO middle . false 54 A 54 VAL middle . . 55 A 55 GLU middle . . 56 A 56 ALA middle . . 57 A 57 PRO middle . false 58 A 58 HIS middle . . 59 A 59 SER middle . . 60 A 60 VAL middle . . 61 A 61 GLY middle . false 62 A 62 LEU middle . . 63 A 63 ARG middle . . 64 A 64 LYS middle . . 65 A 65 ALA middle . . 66 A 66 LEU middle . . 67 A 67 ALA middle . . 68 A 68 PRO middle . false 69 A 69 GLU middle . . 70 A 70 GLU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA HA H 1 4.118 0.01 A 1 ALA HB% H 1 1.521 0.01 A 1 ALA CA C 13 51.730 0.1 A 1 ALA CB C 13 19.191 0.1 A 2 GLY HAx H 1 4.060 0.01 A 2 GLY HAy H 1 4.060 0.01 A 2 GLY CA C 13 44.189 0.1 A 3 HIS HA H 1 4.648 0.01 A 3 HIS HBx H 1 3.080 0.01 A 3 HIS HBy H 1 3.144 0.01 A 3 HIS HD2 H 1 7.027 0.01 A 3 HIS HE1 H 1 7.880 0.01 A 3 HIS CA C 13 56.017 0.1 A 3 HIS CB C 13 30.263 0.1 A 4 MET H H 1 8.367 0.01 A 4 MET HA H 1 4.435 0.01 A 4 MET HBx H 1 2.020 0.01 A 4 MET HBy H 1 2.054 0.01 A 4 MET HE% H 1 2.083 0.01 A 4 MET HGx H 1 2.491 0.01 A 4 MET HGy H 1 2.546 0.01 A 4 MET C C 13 175.952 0.1 A 4 MET CA C 13 55.691 0.1 A 4 MET CB C 13 32.721 0.1 A 4 MET CE C 13 17.005 0.1 A 4 MET CG C 13 31.914 0.1 A 4 MET N N 15 121.926 0.1 A 5 LYS H H 1 8.388 0.01 A 5 LYS HA H 1 4.324 0.01 A 5 LYS HBx H 1 1.744 0.01 A 5 LYS HBy H 1 1.876 0.01 A 5 LYS HDx H 1 1.686 0.01 A 5 LYS HDy H 1 1.686 0.01 A 5 LYS HEx H 1 2.979 0.01 A 5 LYS HEy H 1 2.979 0.01 A 5 LYS HGx H 1 1.419 0.01 A 5 LYS HGy H 1 1.419 0.01 A 5 LYS C C 13 176.056 0.1 A 5 LYS CA C 13 55.960 0.1 A 5 LYS CB C 13 32.900 0.1 A 5 LYS CD C 13 28.879 0.1 A 5 LYS CE C 13 41.963 0.1 A 5 LYS CG C 13 24.732 0.1 A 5 LYS N N 15 122.697 0.1 A 6 GLU H H 1 8.156 0.01 A 6 GLU HA H 1 4.068 0.01 A 6 GLU HBx H 1 1.875 0.01 A 6 GLU HBy H 1 1.875 0.01 A 6 GLU HGx H 1 1.960 0.01 A 6 GLU HGy H 1 2.131 0.01 A 6 GLU C C 13 175.566 0.1 A 6 GLU CA C 13 57.132 0.1 A 6 GLU CB C 13 31.016 0.1 A 6 GLU CG C 13 36.217 0.1 A 6 GLU N N 15 121.308 0.1 A 7 PHE H H 1 7.565 0.01 A 7 PHE HA H 1 4.651 0.01 A 7 PHE HBx H 1 1.987 0.01 A 7 PHE HBy H 1 2.582 0.01 A 7 PHE HDx H 1 6.826 0.01 A 7 PHE HDy H 1 6.826 0.01 A 7 PHE HEx H 1 6.934 0.01 A 7 PHE HEy H 1 6.934 0.01 A 7 PHE HZ H 1 7.034 0.01 A 7 PHE C C 13 173.955 0.1 A 7 PHE CA C 13 56.727 0.1 A 7 PHE CB C 13 40.850 0.1 A 7 PHE CDx C 13 131.614 0.1 A 7 PHE CDy C 13 131.614 0.1 A 7 PHE CEx C 13 130.627 0.1 A 7 PHE CEy C 13 130.627 0.1 A 7 PHE CZ C 13 129.085 0.1 A 7 PHE N N 15 117.741 0.1 A 8 ARG H H 1 9.052 0.01 A 8 ARG HA H 1 4.836 0.01 A 8 ARG HBx H 1 1.665 0.01 A 8 ARG HBy H 1 1.786 0.01 A 8 ARG HDx H 1 3.211 0.01 A 8 ARG HDy H 1 3.211 0.01 A 8 ARG HGx H 1 1.603 0.01 A 8 ARG HGy H 1 1.662 0.01 A 8 ARG CA C 13 52.754 0.1 A 8 ARG CB C 13 31.086 0.1 A 8 ARG CD C 13 43.199 0.1 A 8 ARG CG C 13 26.710 0.1 A 8 ARG N N 15 121.290 0.1 A 9 PRO HA H 1 4.033 0.01 A 9 PRO HBx H 1 1.907 0.01 A 9 PRO HBy H 1 2.139 0.01 A 9 PRO HDx H 1 3.616 0.01 A 9 PRO HDy H 1 3.819 0.01 A 9 PRO HGx H 1 1.700 0.01 A 9 PRO HGy H 1 2.332 0.01 A 9 PRO C C 13 177.372 0.1 A 9 PRO CA C 13 63.702 0.1 A 9 PRO CB C 13 31.132 0.1 A 9 PRO CD C 13 50.771 0.1 A 9 PRO CG C 13 28.689 0.1 A 10 GLY H H 1 9.452 0.01 A 10 GLY HAx H 1 3.435 0.01 A 10 GLY HAy H 1 4.467 0.01 A 10 GLY C C 13 174.753 0.1 A 10 GLY CA C 13 44.652 0.1 A 10 GLY N N 15 114.516 0.1 A 11 ASP H H 1 8.270 0.01 A 11 ASP HA H 1 4.572 0.01 A 11 ASP HBx H 1 2.457 0.01 A 11 ASP HBy H 1 2.840 0.01 A 11 ASP C C 13 175.555 0.1 A 11 ASP CA C 13 55.590 0.1 A 11 ASP CB C 13 41.047 0.1 A 11 ASP N N 15 122.258 0.1 A 12 LYS H H 1 8.561 0.01 A 12 LYS HA H 1 4.993 0.01 A 12 LYS HBx H 1 1.680 0.01 A 12 LYS HBy H 1 1.892 0.01 A 12 LYS HDx H 1 1.678 0.01 A 12 LYS HDy H 1 1.678 0.01 A 12 LYS HEx H 1 2.958 0.01 A 12 LYS HEy H 1 2.958 0.01 A 12 LYS HGx H 1 1.395 0.01 A 12 LYS HGy H 1 1.662 0.01 A 12 LYS C C 13 177.209 0.1 A 12 LYS CA C 13 55.940 0.1 A 12 LYS CB C 13 32.507 0.1 A 12 LYS CD C 13 28.913 0.1 A 12 LYS CE C 13 41.855 0.1 A 12 LYS CG C 13 25.516 0.1 A 12 LYS N N 15 122.799 0.1 A 13 VAL H H 1 8.600 0.01 A 13 VAL HA H 1 5.104 0.01 A 13 VAL HB H 1 1.872 0.01 A 13 VAL HGx% H 1 0.304 0.01 A 13 VAL HGy% H 1 0.382 0.01 A 13 VAL C C 13 173.262 0.1 A 13 VAL CA C 13 58.736 0.1 A 13 VAL CB C 13 36.286 0.1 A 13 VAL CGx C 13 18.440 0.1 A 13 VAL CGy C 13 22.568 0.1 A 13 VAL N N 15 118.143 0.1 A 14 VAL H H 1 8.965 0.01 A 14 VAL HA H 1 4.587 0.01 A 14 VAL HB H 1 1.740 0.01 A 14 VAL HGx% H 1 0.820 0.01 A 14 VAL HGy% H 1 0.864 0.01 A 14 VAL C C 13 174.395 0.1 A 14 VAL CA C 13 60.948 0.1 A 14 VAL CB C 13 34.394 0.1 A 14 VAL CGx C 13 21.092 0.1 A 14 VAL CGy C 13 21.445 0.1 A 14 VAL N N 15 119.697 0.1 A 15 LEU H H 1 8.303 0.01 A 15 LEU HA H 1 5.048 0.01 A 15 LEU HBx H 1 1.154 0.01 A 15 LEU HBy H 1 2.267 0.01 A 15 LEU HDx% H 1 0.852 0.01 A 15 LEU HDy% H 1 0.905 0.01 A 15 LEU HG H 1 1.661 0.01 A 15 LEU CA C 13 50.803 0.1 A 15 LEU CB C 13 45.095 0.1 A 15 LEU CDy C 13 26.616 0.1 A 15 LEU CDx C 13 23.914 0.1 A 15 LEU CG C 13 26.887 0.1 A 15 LEU N N 15 125.183 0.1 A 16 PRO HA H 1 4.679 0.01 A 16 PRO HBx H 1 1.813 0.01 A 16 PRO HBy H 1 2.309 0.01 A 16 PRO HDx H 1 3.715 0.01 A 16 PRO HDy H 1 3.845 0.01 A 16 PRO HGx H 1 1.943 0.01 A 16 PRO HGy H 1 2.199 0.01 A 16 PRO CA C 13 61.822 0.1 A 16 PRO CB C 13 31.031 0.1 A 16 PRO CD C 13 51.116 0.1 A 16 PRO CG C 13 27.772 0.1 A 17 PRO HA H 1 4.604 0.01 A 17 PRO HBx H 1 1.893 0.01 A 17 PRO HBy H 1 2.141 0.01 A 17 PRO HDx H 1 2.583 0.01 A 17 PRO HDy H 1 3.185 0.01 A 17 PRO HGx H 1 0.762 0.01 A 17 PRO HGy H 1 1.639 0.01 A 17 PRO C C 13 175.635 0.1 A 17 PRO CA C 13 63.855 0.1 A 17 PRO CB C 13 32.899 0.1 A 17 PRO CD C 13 49.097 0.1 A 17 PRO CG C 13 23.512 0.1 A 18 TYR H H 1 8.162 0.01 A 18 TYR HA H 1 3.911 0.01 A 18 TYR HBx H 1 1.710 0.01 A 18 TYR HBy H 1 2.189 0.01 A 18 TYR HDx H 1 6.682 0.01 A 18 TYR HDy H 1 6.682 0.01 A 18 TYR HEx H 1 6.716 0.01 A 18 TYR HEy H 1 6.716 0.01 A 18 TYR C C 13 176.467 0.1 A 18 TYR CA C 13 58.975 0.1 A 18 TYR CB C 13 37.726 0.1 A 18 TYR CDx C 13 132.500 0.1 A 18 TYR CDy C 13 132.500 0.1 A 18 TYR CEx C 13 117.960 0.1 A 18 TYR CEy C 13 117.960 0.1 A 18 TYR N N 15 125.833 0.1 A 19 GLY H H 1 7.509 0.01 A 19 GLY HAx H 1 3.568 0.01 A 19 GLY HAy H 1 4.355 0.01 A 19 GLY C C 13 172.404 0.1 A 19 GLY CA C 13 44.656 0.1 A 19 GLY N N 15 106.143 0.1 A 20 VAL H H 1 8.315 0.01 A 20 VAL HA H 1 4.831 0.01 A 20 VAL HB H 1 2.024 0.01 A 20 VAL HGx% H 1 0.973 0.01 A 20 VAL HGy% H 1 1.018 0.01 A 20 VAL C C 13 176.809 0.1 A 20 VAL CA C 13 62.323 0.1 A 20 VAL CB C 13 32.142 0.1 A 20 VAL CGx C 13 21.243 0.1 A 20 VAL CGy C 13 21.777 0.1 A 20 VAL N N 15 123.116 0.1 A 21 GLY H H 1 9.215 0.01 A 21 GLY HAx H 1 3.115 0.01 A 21 GLY HAy H 1 4.528 0.01 A 21 GLY C C 13 171.977 0.1 A 21 GLY CA C 13 44.773 0.1 A 21 GLY N N 15 116.209 0.1 A 22 VAL H H 1 8.556 0.01 A 22 VAL HA H 1 5.042 0.01 A 22 VAL HB H 1 1.743 0.01 A 22 VAL HGx% H 1 0.752 0.01 A 22 VAL HGy% H 1 0.776 0.01 A 22 VAL C C 13 175.271 0.1 A 22 VAL CA C 13 59.315 0.1 A 22 VAL CB C 13 35.791 0.1 A 22 VAL CGx C 13 20.307 0.1 A 22 VAL CGy C 13 21.027 0.1 A 22 VAL N N 15 118.707 0.1 A 23 VAL H H 1 8.635 0.01 A 23 VAL HA H 1 3.939 0.01 A 23 VAL HB H 1 2.267 0.01 A 23 VAL HGx% H 1 0.643 0.01 A 23 VAL HGy% H 1 0.719 0.01 A 23 VAL C C 13 175.500 0.1 A 23 VAL CA C 13 63.792 0.1 A 23 VAL CB C 13 31.059 0.1 A 23 VAL CGy C 13 22.766 0.1 A 23 VAL CGx C 13 21.389 0.1 A 23 VAL N N 15 126.462 0.1 A 24 ALA H H 1 9.451 0.01 A 24 ALA HA H 1 4.476 0.01 A 24 ALA HB% H 1 1.267 0.01 A 24 ALA C C 13 177.849 0.1 A 24 ALA CA C 13 52.654 0.1 A 24 ALA CB C 13 20.467 0.1 A 24 ALA N N 15 134.474 0.1 A 25 GLY H H 1 7.365 0.01 A 25 GLY HAx H 1 3.869 0.01 A 25 GLY HAy H 1 4.326 0.01 A 25 GLY C C 13 170.553 0.1 A 25 GLY CA C 13 44.721 0.1 A 25 GLY N N 15 102.534 0.1 A 26 ILE H H 1 8.516 0.01 A 26 ILE HA H 1 4.986 0.01 A 26 ILE HB H 1 1.682 0.01 A 26 ILE HD1% H 1 0.881 0.01 A 26 ILE HG1x H 1 0.976 0.01 A 26 ILE HG1y H 1 1.522 0.01 A 26 ILE HG2% H 1 0.707 0.01 A 26 ILE C C 13 175.354 0.1 A 26 ILE CA C 13 60.231 0.1 A 26 ILE CB C 13 39.715 0.1 A 26 ILE CD1 C 13 13.201 0.1 A 26 ILE CG1 C 13 28.845 0.1 A 26 ILE CG2 C 13 18.097 0.1 A 26 ILE N N 15 120.852 0.1 A 27 ALA H H 1 9.568 0.01 A 27 ALA HA H 1 4.805 0.01 A 27 ALA HB% H 1 1.413 0.01 A 27 ALA C C 13 176.114 0.1 A 27 ALA CA C 13 50.462 0.1 A 27 ALA CB C 13 22.396 0.1 A 27 ALA N N 15 130.918 0.1 A 28 GLN H H 1 8.700 0.01 A 28 GLN HA H 1 4.977 0.01 A 28 GLN HBx H 1 1.916 0.01 A 28 GLN HBy H 1 1.916 0.01 A 28 GLN HE2x H 1 6.597 0.01 A 28 GLN HE2y H 1 7.331 0.01 A 28 GLN HGx H 1 2.250 0.01 A 28 GLN HGy H 1 2.250 0.01 A 28 GLN C C 13 176.322 0.1 A 28 GLN CA C 13 54.731 0.1 A 28 GLN CB C 13 28.889 0.1 A 28 GLN CG C 13 33.182 0.1 A 28 GLN N N 15 121.731 0.1 A 28 GLN NE2 N 15 110.103 0.1 A 29 ARG H H 1 9.022 0.01 A 29 ARG HA H 1 4.606 0.01 A 29 ARG HBx H 1 1.400 0.01 A 29 ARG HBy H 1 1.598 0.01 A 29 ARG HDx H 1 1.965 0.01 A 29 ARG HDy H 1 2.280 0.01 A 29 ARG HGx H 1 1.046 0.01 A 29 ARG HGy H 1 1.259 0.01 A 29 ARG CA C 13 54.683 0.1 A 29 ARG CB C 13 33.634 0.1 A 29 ARG CD C 13 42.506 0.1 A 29 ARG CG C 13 26.748 0.1 A 29 ARG N N 15 123.391 0.1 A 30 SER HA H 1 5.044 0.01 A 30 SER HBx H 1 3.601 0.01 A 30 SER HBy H 1 3.662 0.01 A 30 SER C C 13 174.637 0.1 A 30 SER CA C 13 57.083 0.1 A 30 SER CB C 13 63.386 0.1 A 31 VAL H H 1 8.440 0.01 A 31 VAL HA H 1 4.177 0.01 A 31 VAL HB H 1 2.017 0.01 A 31 VAL HGx% H 1 0.796 0.01 A 31 VAL HGy% H 1 0.942 0.01 A 31 VAL CA C 13 62.055 0.1 A 31 VAL CB C 13 33.955 0.1 A 31 VAL CGx C 13 20.399 0.1 A 31 VAL CGy C 13 20.673 0.1 A 31 VAL N N 15 126.833 0.1 A 32 SER HA H 1 4.071 0.01 A 32 SER HBx H 1 3.894 0.01 A 32 SER HBy H 1 4.143 0.01 A 32 SER CA C 13 58.625 0.1 A 32 SER CB C 13 62.256 0.1 A 33 GLY H H 1 8.436 0.01 A 33 GLY HAx H 1 3.540 0.01 A 33 GLY HAy H 1 4.182 0.01 A 33 GLY C C 13 173.803 0.1 A 33 GLY CA C 13 45.020 0.1 A 33 GLY N N 15 104.711 0.1 A 34 VAL H H 1 7.649 0.01 A 34 VAL HA H 1 4.269 0.01 A 34 VAL HB H 1 2.059 0.01 A 34 VAL HGx% H 1 0.902 0.01 A 34 VAL HGy% H 1 0.902 0.01 A 34 VAL C C 13 175.333 0.1 A 34 VAL CA C 13 61.276 0.1 A 34 VAL CB C 13 34.080 0.1 A 34 VAL CGx C 13 20.541 0.1 A 34 VAL N N 15 120.778 0.1 A 35 SER H H 1 8.724 0.01 A 35 SER HA H 1 4.962 0.01 A 35 SER HBx H 1 3.669 0.01 A 35 SER HBy H 1 3.757 0.01 A 35 SER C C 13 174.268 0.1 A 35 SER CA C 13 58.038 0.1 A 35 SER CB C 13 63.420 0.1 A 35 SER N N 15 122.738 0.1 A 36 ARG H H 1 8.794 0.01 A 36 ARG HA H 1 4.639 0.01 A 36 ARG HBx H 1 1.758 0.01 A 36 ARG HBy H 1 1.790 0.01 A 36 ARG HDx H 1 3.137 0.01 A 36 ARG HDy H 1 3.137 0.01 A 36 ARG HGx H 1 1.524 0.01 A 36 ARG HGy H 1 1.575 0.01 A 36 ARG C C 13 173.459 0.1 A 36 ARG CA C 13 54.468 0.1 A 36 ARG CB C 13 34.179 0.1 A 36 ARG CD C 13 43.421 0.1 A 36 ARG CG C 13 26.820 0.1 A 36 ARG N N 15 126.108 0.1 A 37 ALA H H 1 8.244 0.01 A 37 ALA HA H 1 4.806 0.01 A 37 ALA HB% H 1 1.178 0.01 A 37 ALA C C 13 177.674 0.1 A 37 ALA CA C 13 51.552 0.1 A 37 ALA CB C 13 19.762 0.1 A 37 ALA N N 15 122.392 0.1 A 38 TYR H H 1 9.195 0.01 A 38 TYR HA H 1 4.915 0.01 A 38 TYR HBx H 1 2.688 0.01 A 38 TYR HBy H 1 2.834 0.01 A 38 TYR HDx H 1 6.878 0.01 A 38 TYR HDy H 1 6.878 0.01 A 38 TYR HEx H 1 6.773 0.01 A 38 TYR HEy H 1 6.773 0.01 A 38 TYR C C 13 175.964 0.1 A 38 TYR CA C 13 56.971 0.1 A 38 TYR CB C 13 42.199 0.1 A 38 TYR CDx C 13 133.174 0.1 A 38 TYR CEx C 13 118.605 0.1 A 38 TYR N N 15 120.403 0.1 A 39 TYR H H 1 9.754 0.01 A 39 TYR HA H 1 4.923 0.01 A 39 TYR HBx H 1 2.664 0.01 A 39 TYR HBy H 1 2.714 0.01 A 39 TYR HDx H 1 6.785 0.01 A 39 TYR HDy H 1 6.785 0.01 A 39 TYR HEx H 1 6.980 0.01 A 39 TYR HEy H 1 6.980 0.01 A 39 TYR C C 13 175.856 0.1 A 39 TYR CA C 13 58.324 0.1 A 39 TYR CB C 13 39.159 0.1 A 39 TYR CDx C 13 132.684 0.1 A 39 TYR CDy C 13 132.684 0.1 A 39 TYR CEx C 13 119.268 0.1 A 39 TYR CEy C 13 119.268 0.1 A 39 TYR N N 15 120.338 0.1 A 40 GLN H H 1 8.875 0.01 A 40 GLN HA H 1 4.528 0.01 A 40 GLN HBx H 1 1.769 0.01 A 40 GLN HBy H 1 1.956 0.01 A 40 GLN HE2x H 1 6.774 0.01 A 40 GLN HE2y H 1 8.536 0.01 A 40 GLN HGx H 1 1.694 0.01 A 40 GLN HGy H 1 1.755 0.01 A 40 GLN C C 13 174.099 0.1 A 40 GLN CA C 13 54.715 0.1 A 40 GLN CB C 13 29.810 0.1 A 40 GLN CG C 13 33.364 0.1 A 40 GLN N N 15 125.003 0.1 A 40 GLN NE2 N 15 116.508 0.1 A 41 VAL H H 1 9.089 0.01 A 41 VAL HA H 1 4.227 0.01 A 41 VAL HB H 1 1.541 0.01 A 41 VAL HGx% H 1 -0.052 0.01 A 41 VAL HGy% H 1 0.537 0.01 A 41 VAL C C 13 173.027 0.1 A 41 VAL CA C 13 61.015 0.1 A 41 VAL CB C 13 32.787 0.1 A 41 VAL CGy C 13 22.890 0.1 A 41 VAL CGx C 13 20.930 0.1 A 41 VAL N N 15 129.522 0.1 A 42 ASP H H 1 8.342 0.01 A 42 ASP HA H 1 4.806 0.01 A 42 ASP HBx H 1 2.322 0.01 A 42 ASP HBy H 1 2.409 0.01 A 42 ASP C C 13 175.292 0.1 A 42 ASP CA C 13 52.835 0.1 A 42 ASP CB C 13 42.890 0.1 A 42 ASP N N 15 125.607 0.1 A 43 PHE H H 1 8.332 0.01 A 43 PHE HA H 1 5.048 0.01 A 43 PHE HBx H 1 2.697 0.01 A 43 PHE HBy H 1 3.099 0.01 A 43 PHE HDx H 1 6.887 0.01 A 43 PHE HDy H 1 6.887 0.01 A 43 PHE HEx H 1 6.769 0.01 A 43 PHE HEy H 1 6.769 0.01 A 43 PHE HZ H 1 6.772 0.01 A 43 PHE CA C 13 55.333 0.1 A 43 PHE CB C 13 39.362 0.1 A 43 PHE CDx C 13 132.400 0.1 A 43 PHE CDy C 13 132.400 0.1 A 43 PHE CEx C 13 130.453 0.1 A 43 PHE CEy C 13 130.453 0.1 A 43 PHE CZ C 13 129.244 0.1 A 43 PHE N N 15 119.497 0.1 A 44 PRO HA H 1 4.408 0.01 A 44 PRO HBx H 1 2.013 0.01 A 44 PRO HBy H 1 2.360 0.01 A 44 PRO HDx H 1 3.834 0.01 A 44 PRO HDy H 1 4.064 0.01 A 44 PRO HGx H 1 2.031 0.01 A 44 PRO HGy H 1 2.142 0.01 A 44 PRO C C 13 175.858 0.1 A 44 PRO CA C 13 64.188 0.1 A 44 PRO CB C 13 32.052 0.1 A 44 PRO CD C 13 50.997 0.1 A 44 PRO CG C 13 27.377 0.1 A 45 GLY H H 1 7.921 0.01 A 45 GLY HAx H 1 3.896 0.01 A 45 GLY HAy H 1 4.084 0.01 A 45 GLY CA C 13 46.079 0.1 A 45 GLY N N 15 115.989 0.1 A 46 SER H H 1 7.881 0.01 A 46 SER HA H 1 4.681 0.01 A 46 SER HBx H 1 3.849 0.01 A 46 SER HBy H 1 4.003 0.01 A 46 SER CA C 13 57.213 0.1 A 46 SER CB C 13 64.673 0.1 A 46 SER N N 15 113.425 0.1 A 47 ARG HA H 1 4.232 0.01 A 47 ARG HBx H 1 1.897 0.01 A 47 ARG HBy H 1 1.988 0.01 A 47 ARG HDx H 1 3.194 0.01 A 47 ARG HDy H 1 3.194 0.01 A 47 ARG HGx H 1 1.654 0.01 A 47 ARG HGy H 1 1.654 0.01 A 47 ARG C C 13 176.101 0.1 A 47 ARG CA C 13 56.697 0.1 A 47 ARG CB C 13 28.820 0.1 A 47 ARG CD C 13 43.184 0.1 A 47 ARG CG C 13 27.257 0.1 A 48 SER H H 1 8.023 0.01 A 48 SER HA H 1 4.698 0.01 A 48 SER HBx H 1 3.730 0.01 A 48 SER HBy H 1 3.730 0.01 A 48 SER C C 13 173.228 0.1 A 48 SER CA C 13 58.280 0.1 A 48 SER CB C 13 64.879 0.1 A 48 SER N N 15 114.466 0.1 A 49 LYS H H 1 8.333 0.01 A 49 LYS HA H 1 5.154 0.01 A 49 LYS HBx H 1 1.493 0.01 A 49 LYS HBy H 1 1.493 0.01 A 49 LYS HDx H 1 1.472 0.01 A 49 LYS HDy H 1 1.472 0.01 A 49 LYS HEx H 1 2.896 0.01 A 49 LYS HEy H 1 2.896 0.01 A 49 LYS HGx H 1 1.199 0.01 A 49 LYS HGy H 1 1.337 0.01 A 49 LYS C C 13 174.853 0.1 A 49 LYS CA C 13 55.309 0.1 A 49 LYS CB C 13 36.071 0.1 A 49 LYS CD C 13 29.362 0.1 A 49 LYS CE C 13 41.928 0.1 A 49 LYS CG C 13 24.286 0.1 A 49 LYS N N 15 121.899 0.1 A 50 ALA H H 1 8.744 0.01 A 50 ALA HA H 1 4.619 0.01 A 50 ALA HB% H 1 1.139 0.01 A 50 ALA C C 13 174.648 0.1 A 50 ALA CA C 13 50.388 0.1 A 50 ALA CB C 13 23.216 0.1 A 50 ALA N N 15 122.646 0.1 A 51 TYR H H 1 8.492 0.01 A 51 TYR HA H 1 5.651 0.01 A 51 TYR HBx H 1 2.467 0.01 A 51 TYR HBy H 1 2.467 0.01 A 51 TYR HDx H 1 6.815 0.01 A 51 TYR HDy H 1 6.815 0.01 A 51 TYR HEx H 1 6.601 0.01 A 51 TYR HEy H 1 6.601 0.01 A 51 TYR C C 13 176.265 0.1 A 51 TYR CA C 13 56.600 0.1 A 51 TYR CB C 13 40.068 0.1 A 51 TYR CDx C 13 132.681 0.1 A 51 TYR CEx C 13 117.335 0.1 A 51 TYR N N 15 117.781 0.1 A 52 VAL H H 1 9.209 0.01 A 52 VAL HA H 1 4.917 0.01 A 52 VAL HB H 1 2.114 0.01 A 52 VAL HGx% H 1 1.031 0.01 A 52 VAL HGy% H 1 1.175 0.01 A 52 VAL CA C 13 58.654 0.1 A 52 VAL CB C 13 36.466 0.1 A 52 VAL CGy C 13 21.411 0.1 A 52 VAL CGx C 13 20.991 0.1 A 52 VAL N N 15 124.801 0.1 A 53 PRO HA H 1 3.897 0.01 A 53 PRO HBx H 1 1.824 0.01 A 53 PRO HBy H 1 2.007 0.01 A 53 PRO HDx H 1 3.817 0.01 A 53 PRO HDy H 1 4.073 0.01 A 53 PRO HGx H 1 2.079 0.01 A 53 PRO HGy H 1 2.177 0.01 A 53 PRO C C 13 176.775 0.1 A 53 PRO CA C 13 63.694 0.1 A 53 PRO CB C 13 31.823 0.1 A 53 PRO CD C 13 51.277 0.1 A 53 PRO CG C 13 27.760 0.1 A 54 VAL H H 1 7.670 0.01 A 54 VAL HA H 1 3.650 0.01 A 54 VAL HB H 1 1.620 0.01 A 54 VAL HGx% H 1 0.168 0.01 A 54 VAL HGy% H 1 0.524 0.01 A 54 VAL C C 13 177.894 0.1 A 54 VAL CA C 13 64.354 0.1 A 54 VAL CB C 13 31.585 0.1 A 54 VAL CGy C 13 21.385 0.1 A 54 VAL CGx C 13 20.562 0.1 A 54 VAL N N 15 122.378 0.1 A 55 GLU H H 1 8.699 0.01 A 55 GLU HA H 1 4.260 0.01 A 55 GLU HBx H 1 2.007 0.01 A 55 GLU HBy H 1 2.007 0.01 A 55 GLU HGx H 1 2.240 0.01 A 55 GLU HGy H 1 2.240 0.01 A 55 GLU C C 13 176.207 0.1 A 55 GLU CA C 13 57.020 0.1 A 55 GLU CB C 13 29.512 0.1 A 55 GLU N N 15 116.732 0.1 A 56 ALA H H 1 7.494 0.01 A 56 ALA HA H 1 4.900 0.01 A 56 ALA HB% H 1 1.300 0.01 A 56 ALA CA C 13 51.119 0.1 A 56 ALA CB C 13 18.793 0.1 A 56 ALA N N 15 120.374 0.1 A 57 PRO HA H 1 4.348 0.01 A 57 PRO HBx H 1 2.009 0.01 A 57 PRO HBy H 1 2.241 0.01 A 57 PRO HDx H 1 3.845 0.01 A 57 PRO HDy H 1 3.981 0.01 A 57 PRO HGx H 1 2.193 0.01 A 57 PRO HGy H 1 2.465 0.01 A 57 PRO CA C 13 65.447 0.1 A 57 PRO CB C 13 31.801 0.1 A 57 PRO CD C 13 50.397 0.1 A 57 PRO CG C 13 27.811 0.1 A 58 HIS H H 1 8.260 0.01 A 58 HIS HA H 1 4.650 0.01 A 58 HIS HBx H 1 3.271 0.01 A 58 HIS HBy H 1 3.271 0.01 A 58 HIS HD2 H 1 7.167 0.01 A 58 HIS HE1 H 1 7.968 0.01 A 58 HIS CA C 13 57.658 0.1 A 58 HIS CB C 13 29.388 0.1 A 58 HIS N N 15 115.708 0.1 A 59 SER HA H 1 4.258 0.01 A 59 SER HBx H 1 3.977 0.01 A 59 SER HBy H 1 3.977 0.01 A 59 SER CA C 13 60.947 0.1 A 59 SER CB C 13 63.161 0.1 A 60 VAL H H 1 7.033 0.01 A 60 VAL HA H 1 4.616 0.01 A 60 VAL HB H 1 2.582 0.01 A 60 VAL HGx% H 1 1.073 0.01 A 60 VAL HGy% H 1 1.088 0.01 A 60 VAL CA C 13 60.788 0.1 A 60 VAL CB C 13 31.899 0.1 A 60 VAL CGy C 13 21.285 0.1 A 60 VAL CGx C 13 20.994 0.1 A 60 VAL N N 15 112.607 0.1 A 61 GLY H H 1 7.584 0.01 A 61 GLY HAx H 1 3.785 0.01 A 61 GLY HAy H 1 4.142 0.01 A 61 GLY C C 13 173.974 0.1 A 61 GLY CA C 13 45.575 0.1 A 61 GLY N N 15 107.552 0.1 A 62 LEU H H 1 7.310 0.01 A 62 LEU HA H 1 4.633 0.01 A 62 LEU HBx H 1 1.163 0.01 A 62 LEU HBy H 1 1.604 0.01 A 62 LEU HDx% H 1 0.047 0.01 A 62 LEU HDy% H 1 0.685 0.01 A 62 LEU HG H 1 1.031 0.01 A 62 LEU C C 13 175.934 0.1 A 62 LEU CA C 13 55.786 0.1 A 62 LEU CB C 13 42.545 0.1 A 62 LEU CDy C 13 25.142 0.1 A 62 LEU CDx C 13 24.902 0.1 A 62 LEU CG C 13 26.966 0.1 A 62 LEU N N 15 120.317 0.1 A 63 ARG H H 1 8.405 0.01 A 63 ARG HA H 1 5.039 0.01 A 63 ARG HBx H 1 1.810 0.01 A 63 ARG HBy H 1 1.932 0.01 A 63 ARG HDx H 1 3.176 0.01 A 63 ARG HDy H 1 3.206 0.01 A 63 ARG HGx H 1 1.523 0.01 A 63 ARG HGy H 1 1.706 0.01 A 63 ARG C C 13 175.280 0.1 A 63 ARG CA C 13 54.116 0.1 A 63 ARG CB C 13 33.407 0.1 A 63 ARG CD C 13 43.524 0.1 A 63 ARG CG C 13 26.595 0.1 A 63 ARG N N 15 123.196 0.1 A 64 LYS H H 1 9.001 0.01 A 64 LYS HA H 1 4.388 0.01 A 64 LYS HBx H 1 1.854 0.01 A 64 LYS HBy H 1 1.957 0.01 A 64 LYS HDx H 1 1.739 0.01 A 64 LYS HDy H 1 1.739 0.01 A 64 LYS HEx H 1 2.846 0.01 A 64 LYS HEy H 1 2.975 0.01 A 64 LYS HGx H 1 1.539 0.01 A 64 LYS HGy H 1 1.651 0.01 A 64 LYS C C 13 176.455 0.1 A 64 LYS CA C 13 57.456 0.1 A 64 LYS CB C 13 32.869 0.1 A 64 LYS CD C 13 28.877 0.1 A 64 LYS CE C 13 41.948 0.1 A 64 LYS CG C 13 25.955 0.1 A 64 LYS N N 15 121.577 0.1 A 65 ALA H H 1 8.219 0.01 A 65 ALA HA H 1 4.270 0.01 A 65 ALA HB% H 1 1.191 0.01 A 65 ALA C C 13 177.020 0.1 A 65 ALA CA C 13 52.085 0.1 A 65 ALA CB C 13 18.917 0.1 A 65 ALA N N 15 126.650 0.1 A 66 LEU H H 1 8.595 0.01 A 66 LEU HA H 1 4.406 0.01 A 66 LEU HBx H 1 1.627 0.01 A 66 LEU HBy H 1 1.627 0.01 A 66 LEU HDx% H 1 0.879 0.01 A 66 LEU HDy% H 1 0.930 0.01 A 66 LEU C C 13 176.838 0.1 A 66 LEU CA C 13 54.512 0.1 A 66 LEU CB C 13 42.713 0.1 A 66 LEU CDx C 13 23.381 0.1 A 66 LEU CDy C 13 24.866 0.1 A 66 LEU N N 15 122.767 0.1 A 67 ALA H H 1 8.348 0.01 A 67 ALA HA H 1 4.554 0.01 A 67 ALA HB% H 1 1.404 0.01 A 67 ALA CA C 13 51.765 0.1 A 67 ALA CB C 13 17.927 0.1 A 67 ALA N N 15 125.641 0.1 A 68 PRO HA H 1 4.448 0.01 A 68 PRO HBx H 1 1.927 0.01 A 68 PRO HBy H 1 2.317 0.01 A 68 PRO HDx H 1 3.640 0.01 A 68 PRO HDy H 1 3.772 0.01 A 68 PRO HGx H 1 2.019 0.01 A 68 PRO HGy H 1 2.019 0.01 A 68 PRO C C 13 177.008 0.1 A 68 PRO CA C 13 63.483 0.1 A 68 PRO CB C 13 31.929 0.1 A 68 PRO CD C 13 50.537 0.1 A 68 PRO CG C 13 27.455 0.1 A 69 GLU H H 1 8.354 0.01 A 69 GLU HA H 1 4.261 0.01 A 69 GLU HBx H 1 2.039 0.01 A 69 GLU HBy H 1 2.039 0.01 A 69 GLU C C 13 175.561 0.1 A 69 GLU CA C 13 56.676 0.1 A 69 GLU CB C 13 30.245 0.1 A 69 GLU N N 15 119.998 0.1 A 70 GLU H H 1 7.804 0.01 A 70 GLU HA H 1 4.088 0.01 A 70 GLU HBx H 1 1.906 0.01 A 70 GLU HBy H 1 2.043 0.01 A 70 GLU HGx H 1 2.161 0.01 A 70 GLU HGy H 1 2.214 0.01 A 70 GLU CA C 13 58.054 0.1 A 70 GLU CB C 13 31.400 0.1 A 70 GLU CG C 13 36.665 0.1 A 70 GLU N N 15 126.380 0.1 stop_ save_ save_assigned_chem_shift_list_2 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_2 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 4 MET H H 1 8.458 0.01 A 4 MET N N 15 122.199 0.1 A 5 LYS H H 1 8.477 0.01 A 5 LYS N N 15 123.024 0.1 A 6 GLU H H 1 8.229 0.01 A 6 GLU N N 15 121.541 0.1 A 7 PHE H H 1 7.608 0.01 A 7 PHE N N 15 117.672 0.1 A 8 ARG H H 1 9.064 0.01 A 8 ARG N N 15 121.237 0.1 A 10 GLY H H 1 9.491 0.01 A 10 GLY N N 15 114.654 0.1 A 11 ASP H H 1 8.294 0.01 A 11 ASP N N 15 122.330 0.1 A 12 LYS H H 1 8.643 0.01 A 12 LYS N N 15 122.894 0.1 A 13 VAL H H 1 8.605 0.01 A 13 VAL N N 15 118.235 0.1 A 14 VAL H H 1 8.995 0.01 A 14 VAL N N 15 119.706 0.1 A 15 LEU H H 1 8.301 0.01 A 15 LEU N N 15 125.113 0.1 A 18 TYR H H 1 8.219 0.01 A 18 TYR N N 15 125.988 0.1 A 19 GLY H H 1 7.526 0.01 A 19 GLY N N 15 106.640 0.1 A 20 VAL H H 1 8.373 0.01 A 20 VAL N N 15 123.064 0.1 A 21 GLY H H 1 9.245 0.01 A 21 GLY N N 15 116.229 0.1 A 22 VAL H H 1 8.569 0.01 A 22 VAL N N 15 118.893 0.1 A 23 VAL H H 1 8.653 0.01 A 23 VAL N N 15 126.553 0.1 A 24 ALA H H 1 9.491 0.01 A 24 ALA N N 15 134.513 0.1 A 25 GLY H H 1 7.377 0.01 A 25 GLY N N 15 102.708 0.1 A 26 ILE H H 1 8.568 0.01 A 26 ILE N N 15 120.836 0.1 A 27 ALA H H 1 9.572 0.01 A 27 ALA N N 15 130.921 0.1 A 28 GLN H H 1 8.778 0.01 A 28 GLN HE2x H 1 6.635 0.01 A 28 GLN HE2y H 1 7.392 0.01 A 28 GLN N N 15 121.829 0.1 A 28 GLN NE2 N 15 110.296 0.1 A 29 ARG H H 1 9.074 0.01 A 29 ARG N N 15 123.547 0.1 A 31 VAL H H 1 8.449 0.01 A 31 VAL N N 15 127.009 0.1 A 33 GLY H H 1 8.516 0.01 A 33 GLY N N 15 104.700 0.1 A 34 VAL H H 1 7.667 0.01 A 34 VAL N N 15 120.976 0.1 A 35 SER H H 1 8.826 0.01 A 35 SER N N 15 123.074 0.1 A 36 ARG H H 1 8.825 0.01 A 36 ARG N N 15 126.165 0.1 A 37 ALA H H 1 8.286 0.01 A 37 ALA N N 15 122.269 0.1 A 38 TYR H H 1 9.233 0.01 A 38 TYR N N 15 120.483 0.1 A 39 TYR H H 1 9.783 0.01 A 39 TYR N N 15 120.388 0.1 A 40 GLN H H 1 8.902 0.01 A 40 GLN HE2x H 1 6.820 0.01 A 40 GLN HE2y H 1 8.659 0.01 A 40 GLN N N 15 124.987 0.1 A 40 GLN NE2 N 15 116.977 0.1 A 41 VAL H H 1 9.126 0.01 A 41 VAL N N 15 129.584 0.1 A 42 ASP H H 1 8.339 0.01 A 42 ASP N N 15 125.431 0.1 A 43 PHE H H 1 8.399 0.01 A 43 PHE N N 15 119.584 0.1 A 45 GLY H H 1 7.999 0.01 A 45 GLY N N 15 116.097 0.1 A 46 SER H H 1 7.924 0.01 A 46 SER N N 15 113.499 0.1 A 48 SER H H 1 8.081 0.01 A 48 SER N N 15 114.739 0.1 A 49 LYS H H 1 8.401 0.01 A 49 LYS N N 15 122.092 0.1 A 50 ALA H H 1 8.759 0.01 A 50 ALA N N 15 122.685 0.1 A 51 TYR H H 1 8.553 0.01 A 51 TYR N N 15 117.751 0.1 A 52 VAL H H 1 9.253 0.01 A 52 VAL N N 15 124.976 0.1 A 54 VAL H H 1 7.716 0.01 A 54 VAL N N 15 122.755 0.1 A 55 GLU H H 1 8.708 0.01 A 55 GLU N N 15 116.716 0.1 A 56 ALA H H 1 7.534 0.01 A 56 ALA N N 15 120.561 0.1 A 58 HIS H H 1 8.328 0.01 A 58 HIS N N 15 115.865 0.1 A 60 VAL H H 1 7.037 0.01 A 60 VAL N N 15 112.509 0.1 A 61 GLY H H 1 7.602 0.01 A 61 GLY N N 15 107.645 0.1 A 62 LEU H H 1 7.350 0.01 A 62 LEU N N 15 120.313 0.1 A 63 ARG H H 1 8.447 0.01 A 63 ARG N N 15 123.181 0.1 A 64 LYS H H 1 9.068 0.01 A 64 LYS N N 15 121.527 0.1 A 65 ALA H H 1 8.242 0.01 A 65 ALA N N 15 126.769 0.1 A 66 LEU H H 1 8.722 0.01 A 66 LEU N N 15 123.015 0.1 A 67 ALA H H 1 8.447 0.01 A 67 ALA N N 15 125.838 0.1 A 69 GLU H H 1 8.400 0.01 A 69 GLU N N 15 120.038 0.1 A 70 GLU H H 1 7.861 0.01 A 70 GLU N N 15 126.431 0.1 stop_ save_ save_assigned_chem_shift_list_3 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_3 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 4 MET H H 1 8.270 0.01 A 4 MET N N 15 121.718 0.1 A 6 GLU H H 1 8.093 0.01 A 6 GLU N N 15 121.090 0.1 A 7 PHE H H 1 7.527 0.01 A 7 PHE N N 15 117.810 0.1 A 8 ARG H H 1 9.043 0.01 A 8 ARG N N 15 121.332 0.1 A 10 GLY H H 1 9.415 0.01 A 10 GLY N N 15 114.396 0.1 A 11 ASP H H 1 8.252 0.01 A 11 ASP N N 15 122.167 0.1 A 12 LYS H H 1 8.476 0.01 A 12 LYS N N 15 122.592 0.1 A 13 VAL H H 1 8.596 0.01 A 13 VAL N N 15 118.032 0.1 A 14 VAL H H 1 8.933 0.01 A 14 VAL N N 15 119.718 0.1 A 15 LEU H H 1 8.308 0.01 A 15 LEU N N 15 125.300 0.1 A 18 TYR H H 1 8.108 0.01 A 18 TYR N N 15 125.634 0.1 A 19 GLY H H 1 7.497 0.01 A 19 GLY N N 15 106.200 0.1 A 20 VAL H H 1 8.262 0.01 A 20 VAL N N 15 123.114 0.1 A 21 GLY H H 1 9.188 0.01 A 21 GLY N N 15 116.184 0.1 A 22 VAL H H 1 8.540 0.01 A 22 VAL N N 15 118.526 0.1 A 23 VAL H H 1 8.620 0.01 A 23 VAL N N 15 126.332 0.1 A 24 ALA H H 1 9.413 0.01 A 24 ALA N N 15 134.415 0.1 A 25 GLY H H 1 7.355 0.01 A 25 GLY N N 15 102.445 0.1 A 26 ILE H H 1 8.460 0.01 A 26 ILE N N 15 120.845 0.1 A 27 ALA H H 1 9.557 0.01 A 27 ALA N N 15 130.860 0.1 A 28 GLN H H 1 8.628 0.01 A 28 GLN HE2x H 1 6.566 0.01 A 28 GLN HE2y H 1 7.273 0.01 A 28 GLN N N 15 121.568 0.1 A 28 GLN NE2 N 15 109.927 0.1 A 29 ARG H H 1 8.974 0.01 A 29 ARG N N 15 123.191 0.1 A 31 VAL H H 1 8.430 0.01 A 31 VAL N N 15 126.615 0.1 A 33 GLY H H 1 8.375 0.01 A 33 GLY N N 15 104.774 0.1 A 34 VAL H H 1 7.635 0.01 A 34 VAL N N 15 120.569 0.1 A 35 SER H H 1 8.632 0.01 A 35 SER N N 15 122.410 0.1 A 36 ARG H H 1 8.762 0.01 A 36 ARG N N 15 125.993 0.1 A 37 ALA H H 1 8.204 0.01 A 37 ALA N N 15 122.526 0.1 A 38 TYR H H 1 9.156 0.01 A 38 TYR N N 15 120.294 0.1 A 39 TYR H H 1 9.729 0.01 A 39 TYR N N 15 120.269 0.1 A 40 GLN H H 1 8.850 0.01 A 40 GLN HE2x H 1 6.728 0.01 A 40 GLN HE2y H 1 8.429 0.01 A 40 GLN N N 15 124.962 0.1 A 40 GLN NE2 N 15 116.042 0.1 A 41 VAL H H 1 9.051 0.01 A 41 VAL N N 15 129.447 0.1 A 42 ASP H H 1 8.345 0.01 A 42 ASP N N 15 125.713 0.1 A 43 PHE H H 1 8.275 0.01 A 43 PHE N N 15 119.450 0.1 A 45 GLY H H 1 7.853 0.01 A 45 GLY N N 15 115.905 0.1 A 46 SER H H 1 7.844 0.01 A 46 SER N N 15 113.490 0.1 A 48 SER H H 1 7.971 0.01 A 48 SER N N 15 114.251 0.1 A 50 ALA H H 1 8.728 0.01 A 50 ALA N N 15 122.579 0.1 A 51 TYR H H 1 8.434 0.01 A 51 TYR N N 15 117.836 0.1 A 52 VAL H H 1 9.172 0.01 A 52 VAL N N 15 124.579 0.1 A 54 VAL H H 1 7.631 0.01 A 54 VAL N N 15 122.003 0.1 A 55 GLU H H 1 8.686 0.01 A 55 GLU N N 15 116.832 0.1 A 56 ALA H H 1 7.463 0.01 A 56 ALA N N 15 120.271 0.1 A 60 VAL H H 1 7.027 0.01 A 60 VAL N N 15 112.678 0.1 A 61 GLY H H 1 7.579 0.01 A 61 GLY N N 15 107.521 0.1 A 62 LEU H H 1 7.280 0.01 A 62 LEU N N 15 120.310 0.1 A 63 ARG H H 1 8.368 0.01 A 63 ARG N N 15 123.137 0.1 A 64 LYS H H 1 8.934 0.01 A 64 LYS N N 15 121.576 0.1 A 65 ALA H H 1 8.194 0.01 A 65 ALA N N 15 126.502 0.1 A 66 LEU H H 1 8.476 0.01 A 66 LEU N N 15 122.592 0.1 A 67 ALA H H 1 8.255 0.01 A 67 ALA N N 15 125.428 0.1 A 69 GLU H H 1 8.310 0.01 A 69 GLU N N 15 119.990 0.1 A 70 GLU H H 1 7.755 0.01 A 70 GLU N N 15 126.331 0.1 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 7 PHE HD% A 7 PHE HZ 1.0 . 3.82 2 2 A 13 VAL HA A 64 LYS HA 1.0 . 3.38 3 3 A 13 VAL HA A 13 VAL HGx% 1.0 . 4.06 4 4 A 28 GLN HA A 37 ALA HA 1.0 . 3.96 5 5 A 30 SER HA A 35 SER HA 1.0 . 3.71 6 6 A 42 ASP HA A 49 LYS HA 1.0 . 3.71 7 7 A 64 LYS HA A 13 VAL HGy% 1.0 . 4.97 8 8 A 43 PHE HA A 44 PRO HDy 1.0 . 3.62 9 9 A 67 ALA HA A 68 PRO HDy 1.0 . 3.89 10 10 A 38 TYR HBx A 51 TYR HA 1.0 . 4.75 11 11 A 51 TYR HA A 50 ALA HB% 1.0 . 4.82 12 12 A 41 VAL HA A 41 VAL HGy% 1.0 . 3.36 13 13 A 41 VAL HA A 41 VAL HGx% 1.0 . 3.32 14 14 A 41 VAL HGx% A 23 VAL HA 1.0 . 4.01 15 15 A 41 VAL HA A 23 VAL HGy% 1.0 . 4.32 16 16 A 41 VAL HA A 23 VAL HGx% 1.0 . 4.11 17 17 A 23 VAL HA A 23 VAL HGy% 1.0 . 3.41 18 18 A 23 VAL HA A 23 VAL HGx% 1.0 . 3.42 19 19 A 38 TYR HA A 54 VAL HGx% 1.0 . 3.70 20 20 A 41 VAL HGy% A 52 VAL HA 1.0 . 5.50 21 21 A 38 TYR HA A 54 VAL HGy% 1.0 . 4.48 22 22 A 20 VAL HA A 20 VAL HGy% 1.0 . 3.68 23 23 A 52 VAL HA A 52 VAL HGy% 1.0 . 3.44 24 24 A 31 VAL HA A 31 VAL HGx% 1.0 . 3.31 25 25 A 8 ARG HA A 8 ARG HGx 1.0 . 4.08 26 26 A 66 LEU HA A 66 LEU HDy% 1.0 . 4.66 27 27 A 66 LEU HDx% A 66 LEU HBx 1.0 . 2.96 28 27 A 66 LEU HBy A 66 LEU HDx% 1.0 . 2.96 29 28 A 20 VAL HA A 14 VAL HGy% 1.0 . 4.91 30 29 A 20 VAL HA A 14 VAL HGx% 1.0 . 4.91 31 30 A 26 ILE HA A 26 ILE HG1y 1.0 . 3.93 32 31 A 14 VAL HA A 14 VAL HGx% 1.0 . 3.40 33 32 A 39 TYR HA A 39 TYR HE% 1.0 . 4.55 34 33 A 47 ARG HA A 47 ARG HDx 1.0 . 4.38 35 33 A 47 ARG HA A 47 ARG HDy 1.0 . 4.38 36 34 A 8 ARG HBy A 8 ARG HDx 1.0 . 3.43 37 34 A 8 ARG HBy A 8 ARG HDy 1.0 . 3.43 38 35 A 13 VAL HA A 65 ALA HB% 1.0 . 4.35 39 36 A 38 TYR HA A 51 TYR HBx 1.0 . 4.77 40 36 A 38 TYR HA A 51 TYR HBy 1.0 . 4.77 41 37 A 13 VAL HA A 23 VAL HGy% 1.0 . 5.50 42 38 A 52 VAL HA A 60 VAL HGy% 1.0 . 4.42 43 39 A 41 VAL HA A 23 VAL HA 1.0 . 3.16 44 40 A 55 GLU HA A 55 GLU HGx 1.0 . 3.38 45 40 A 55 GLU HA A 55 GLU HGy 1.0 . 3.38 46 41 A 40 GLN HA A 40 GLN HGy 1.0 . 4.19 47 42 A 17 PRO HDy A 18 TYR HD% 1.0 . 5.38 48 43 A 18 TYR HD% A 17 PRO HDx 1.0 . 4.48 49 44 A 17 PRO HA A 16 PRO HBy 1.0 . 4.40 50 45 A 37 ALA HA A 26 ILE HG2% 1.0 . 3.96 51 46 A 43 PHE HBy A 44 PRO HDx 1.0 . 4.03 52 47 A 43 PHE HBy A 44 PRO HDy 1.0 . 4.03 53 48 A 43 PHE HBy A 48 SER HBx 1.0 . 5.50 54 48 A 43 PHE HBy A 48 SER HBy 1.0 . 5.50 55 49 A 43 PHE HBx A 44 PRO HDx 1.0 . 4.84 56 50 A 43 PHE HBx A 48 SER HBx 1.0 . 4.32 57 50 A 48 SER HBy A 43 PHE HBx 1.0 . 4.32 58 51 A 38 TYR HA A 53 PRO HA 1.0 . 3.45 59 52 A 52 VAL HA A 53 PRO HDx 1.0 . 3.52 60 53 A 23 VAL HGx% A 9 PRO HA 1.0 . 3.39 61 54 A 62 LEU HA A 62 LEU HDy% 1.0 . 4.36 62 55 A 62 LEU HDx% A 13 VAL HGy% 1.0 . 4.31 63 56 A 41 VAL HGx% A 23 VAL HGy% 1.0 . 3.81 64 57 A 54 VAL HGx% A 26 ILE HD1% 1.0 . 4.21 65 58 A 13 VAL HA A 7 PHE HE% 1.0 . 4.87 66 59 A 28 GLN HA A 38 TYR HD% 1.0 . 4.04 67 60 A 26 ILE HA A 39 TYR HD% 1.0 . 3.81 68 61 A 37 ALA HA A 38 TYR HD% 1.0 . 5.07 69 62 A 20 VAL HA A 43 PHE HE% 1.0 . 5.50 70 63 A 18 TYR HD% A 15 LEU HA 1.0 . 5.27 71 64 A 18 TYR HE% A 50 ALA HA 1.0 . 5.34 72 65 A 50 ALA HA A 51 TYR HE% 1.0 . 5.50 73 66 A 43 PHE HE% A 50 ALA HA 1.0 . 4.65 74 67 A 50 ALA HA A 43 PHE HZ 1.0 . 5.19 75 68 A 7 PHE HD% A 64 LYS HA 1.0 . 5.06 76 69 A 39 TYR HD% A 57 PRO HA 1.0 . 4.82 77 70 A 41 VAL HA A 43 PHE HE% 1.0 . 5.50 78 71 A 41 VAL HA A 43 PHE HZ 1.0 . 5.50 79 72 A 43 PHE HE% A 48 SER HBx 1.0 . 5.06 80 72 A 48 SER HBy A 43 PHE HE% 1.0 . 5.06 81 73 A 18 TYR HE% A 48 SER HBx 1.0 . 4.83 82 73 A 48 SER HBy A 18 TYR HE% 1.0 . 4.83 83 74 A 18 TYR HD% A 48 SER HBx 1.0 . 4.74 84 74 A 18 TYR HD% A 48 SER HBy 1.0 . 4.74 85 75 A 39 TYR HD% A 54 VAL HA 1.0 . 4.53 86 76 A 53 PRO HDx A 38 TYR HD% 1.0 . 4.43 87 77 A 43 PHE HD% A 15 LEU HBy 1.0 . 5.50 88 78 A 7 PHE HD% A 23 VAL HB 1.0 . 5.21 89 79 A 18 TYR HD% A 15 LEU HBy 1.0 . 4.79 90 80 A 43 PHE HD% A 18 TYR HBy 1.0 . 4.64 91 81 A 7 PHE HZ A 13 VAL HB 1.0 . 4.28 92 82 A 38 TYR HD% A 36 ARG HBy 1.0 . 4.99 93 83 A 38 TYR HE% A 36 ARG HBx 1.0 . 4.31 94 84 A 18 TYR HD% A 15 LEU HG 1.0 . 4.25 95 85 A 7 PHE HE% A 64 LYS HGy 1.0 . 4.40 96 86 A 39 TYR HE% A 54 VAL HB 1.0 . 4.36 97 87 A 38 TYR HE% A 29 ARG HBx 1.0 . 4.41 98 88 A 38 TYR HD% A 29 ARG HGy 1.0 . 5.07 99 89 A 7 PHE HE% A 52 VAL HGx% 1.0 . 4.06 100 90 A 7 PHE HD% A 52 VAL HGx% 1.0 . 4.44 101 91 A 18 TYR HD% A 15 LEU HBx 1.0 . 4.79 102 92 A 7 PHE HZ A 62 LEU HG 1.0 . 5.19 103 93 A 52 VAL HGy% A 7 PHE HE% 1.0 . 5.50 104 94 A 7 PHE HE% A 62 LEU HG 1.0 . 5.50 105 95 A 18 TYR HE% A 15 LEU HDy% 1.0 . 4.61 106 96 A 23 VAL HGy% A 39 TYR HD% 1.0 . 4.32 107 97 A 41 VAL HGy% A 43 PHE HD% 1.0 . 5.50 108 98 A 7 PHE HD% A 13 VAL HGx% 1.0 . 4.76 109 99 A 54 VAL HGx% A 39 TYR HD% 1.0 . 4.38 110 100 A 23 VAL HGx% A 39 TYR HA 1.0 . 3.92 111 101 A 23 VAL HGy% A 9 PRO HA 1.0 . 4.80 112 102 A 15 LEU HA A 15 LEU HG 1.0 . 3.83 113 103 A 15 LEU HA A 62 LEU HG 1.0 . 5.49 114 104 A 39 TYR HA A 26 ILE HD1% 1.0 . 4.39 115 105 A 52 VAL HGy% A 53 PRO HDx 1.0 . 3.74 116 106 A 23 VAL HGx% A 25 GLY HAx 1.0 . 4.97 117 107 A 22 VAL HGx% A 10 GLY HAx 1.0 . 4.88 118 108 A 23 VAL HGy% A 11 ASP HBx 1.0 . 3.90 119 109 A 34 VAL HGy% A 36 ARG HDx 1.0 . 3.88 120 109 A 34 VAL HGx% A 36 ARG HDx 1.0 . 3.88 121 109 A 36 ARG HDy A 34 VAL HGx% 1.0 . 3.88 122 109 A 34 VAL HGy% A 36 ARG HDy 1.0 . 3.88 123 110 A 41 VAL HGy% A 52 VAL HB 1.0 . 3.66 124 111 A 23 VAL HGy% A 7 PHE HBx 1.0 . 4.11 125 112 A 13 VAL HB A 62 LEU HDy% 1.0 . 4.80 126 113 A 26 ILE HG2% A 37 ALA HB% 1.0 . 3.08 127 114 A 26 ILE HG2% A 26 ILE HG1x 1.0 . 3.69 128 115 A 23 VAL HGx% A 26 ILE HD1% 1.0 . 3.95 129 116 A 41 VAL HGy% A 23 VAL HGx% 1.0 . 5.50 130 117 A 23 VAL HGx% A 7 PHE HBx 1.0 . 4.93 131 118 A 23 VAL HGx% A 9 PRO HBx 1.0 . 5.50 132 119 A 26 ILE HG2% A 28 GLN HBx 1.0 . 5.50 133 119 A 26 ILE HG2% A 28 GLN HBy 1.0 . 5.50 134 120 A 23 VAL HGy% A 13 VAL HB 1.0 . 4.52 135 121 A 23 VAL HGx% A 9 PRO HBy 1.0 . 5.50 136 122 A 26 ILE HA A 26 ILE HG1x 1.0 . 3.93 137 123 A 26 ILE HA A 37 ALA HB% 1.0 . 4.87 138 124 A 28 GLN HA A 37 ALA HB% 1.0 . 4.63 139 125 A 52 VAL HGy% A 53 PRO HDy 1.0 . 4.76 140 126 A 8 ARG HGx A 9 PRO HDy 1.0 . 3.29 141 127 A 52 VAL HGx% A 39 TYR HBx 1.0 . 5.50 142 128 A 52 VAL HGy% A 39 TYR HBx 1.0 . 4.80 143 129 A 52 VAL HGx% A 39 TYR HBy 1.0 . 4.85 144 130 A 27 ALA HB% A 38 TYR HBy 1.0 . 4.31 145 131 A 23 VAL HGy% A 11 ASP HBy 1.0 . 4.26 146 132 A 24 ALA HB% A 42 ASP HBy 1.0 . 4.68 147 133 A 15 LEU HBx A 15 LEU HDy% 1.0 . 4.03 148 134 A 23 VAL HGx% A 7 PHE HBy 1.0 . 5.21 149 135 A 23 VAL HGx% A 11 ASP HBx 1.0 . 5.31 150 136 A 23 VAL HGx% A 39 TYR HBy 1.0 . 3.77 151 137 A 10 GLY HAx A 22 VAL HGy% 1.0 . 4.88 152 138 A 9 PRO HA A 23 VAL HB 1.0 . 3.50 153 139 A 8 ARG HBy A 9 PRO HDy 1.0 . 3.80 154 140 A 8 ARG HBy A 9 PRO HDx 1.0 . 3.80 155 141 A 54 VAL HA A 57 PRO HBx 1.0 . 5.50 156 142 A 24 ALA HB% A 42 ASP HBx 1.0 . 4.68 157 143 A 65 ALA HB% A 12 LYS HBx 1.0 . 4.01 158 144 A 65 ALA HB% A 12 LYS HDx 1.0 . 3.75 159 144 A 65 ALA HB% A 12 LYS HDy 1.0 . 3.75 160 145 A 43 PHE HE% A 15 LEU HA 1.0 . 5.49 161 146 A 43 PHE HA A 43 PHE HE% 1.0 . 5.50 162 147 A 38 TYR HE% A 29 ARG HA 1.0 . 5.50 163 148 A 43 PHE HD% A 21 GLY HAx 1.0 . 3.97 164 149 A 38 TYR HE% A 36 ARG HDx 1.0 . 4.46 165 149 A 38 TYR HE% A 36 ARG HDy 1.0 . 4.46 166 150 A 7 PHE HE% A 57 PRO HBx 1.0 . 3.85 167 151 A 39 TYR HD% A 52 VAL HB 1.0 . 2.94 168 152 A 7 PHE HD% A 6 GLU HBx 1.0 . 4.94 169 152 A 7 PHE HD% A 6 GLU HBy 1.0 . 4.94 170 153 A 7 PHE HD% A 13 VAL HB 1.0 . 5.26 171 154 A 7 PHE HE% A 13 VAL HB 1.0 . 3.98 172 155 A 39 TYR HE% A 57 PRO HBy 1.0 . 4.95 173 156 A 39 TYR HE% A 7 PHE HBx 1.0 . 3.13 174 157 A 38 TYR HE% A 36 ARG HBy 1.0 . 4.31 175 158 A 43 PHE HE% A 18 TYR HBx 1.0 . 3.89 176 159 A 39 TYR HD% A 26 ILE HG1y 1.0 . 4.19 177 160 A 38 TYR HE% A 29 ARG HBy 1.0 . 4.41 178 161 A 43 PHE HD% A 15 LEU HBx 1.0 . 5.50 179 162 A 50 ALA HB% A 43 PHE HD% 1.0 . 5.49 180 163 A 38 TYR HD% A 29 ARG HGx 1.0 . 5.07 181 164 A 52 VAL HGy% A 38 TYR HD% 1.0 . 5.50 182 165 A 39 TYR HD% A 52 VAL HGx% 1.0 . 3.70 183 166 A 18 TYR HD% A 15 LEU HDy% 1.0 . 4.20 184 167 A 26 ILE HG2% A 39 TYR HD% 1.0 . 4.94 185 168 A 7 PHE HE% A 62 LEU HDx% 1.0 . 4.38 186 169 A 36 ARG HA A 36 ARG HGx 1.0 . 3.46 187 170 A 29 ARG HA A 29 ARG HGx 1.0 . 3.85 188 171 A 34 VAL HA A 34 VAL HGx% 1.0 . 2.89 189 171 A 34 VAL HGy% A 34 VAL HA 1.0 . 2.89 190 172 A 22 VAL HGx% A 10 GLY HAy 1.0 . 4.88 191 173 A 5 LYS HA A 5 LYS HDx 1.0 . 3.60 192 173 A 5 LYS HA A 5 LYS HDy 1.0 . 3.60 193 174 A 64 LYS HA A 13 VAL HB 1.0 . 4.04 194 175 A 67 ALA HB% A 68 PRO HDx 1.0 . 3.86 195 176 A 31 VAL HB A 36 ARG HDx 1.0 . 4.75 196 176 A 36 ARG HDy A 31 VAL HB 1.0 . 4.75 197 177 A 23 VAL HB A 11 ASP HBx 1.0 . 4.41 198 178 A 43 PHE HBx A 44 PRO HDy 1.0 . 4.84 199 179 A 64 LYS HA A 64 LYS HDx 1.0 . 4.18 200 179 A 64 LYS HA A 64 LYS HDy 1.0 . 4.18 201 180 A 36 ARG HA A 36 ARG HGy 1.0 . 3.80 202 181 A 26 ILE HD1% A 37 ALA HB% 1.0 . 5.50 203 182 A 23 VAL HGx% A 13 VAL HGy% 1.0 . 5.42 204 183 A 23 VAL HGx% A 13 VAL HGx% 1.0 . 5.42 205 184 A 41 VAL HGx% A 15 LEU HBy 1.0 . 4.64 206 185 A 65 ALA HB% A 12 LYS HBy 1.0 . 4.01 207 186 A 56 ALA HA A 58 HIS HE1 1.0 . 4.51 208 187 A 3 HIS HA A 3 HIS HD2 1.0 . 5.50 209 188 A 7 PHE HZ A 62 LEU HA 1.0 . 5.50 210 189 A 7 PHE HE% A 58 HIS HA 1.0 . 5.06 211 190 A 38 TYR HD% A 29 ARG HA 1.0 . 4.96 212 191 A 7 PHE HZ A 64 LYS HA 1.0 . 4.30 213 192 A 51 TYR HE% A 49 LYS HEx 1.0 . 4.30 214 192 A 51 TYR HE% A 49 LYS HEy 1.0 . 4.30 215 193 A 38 TYR HBx A 51 TYR HE% 1.0 . 4.58 216 194 A 51 TYR HE% A 49 LYS HBx 1.0 . 5.21 217 194 A 51 TYR HE% A 49 LYS HBy 1.0 . 5.21 218 195 A 36 ARG HDy A 36 ARG HBx 1.0 . 2.99 219 195 A 36 ARG HBx A 36 ARG HDx 1.0 . 2.99 220 196 A 47 ARG HA A 47 ARG HBy 1.0 . 3.02 221 197 A 53 PRO HBy A 36 ARG HDx 1.0 . 5.50 222 197 A 36 ARG HDy A 53 PRO HBy 1.0 . 5.50 223 198 A 12 LYS HA A 22 VAL HA 1.0 . 5.50 224 199 A 52 VAL HB A 39 TYR HBy 1.0 . 3.90 225 200 A 13 VAL HA A 65 ALA HA 1.0 . 4.96 226 201 A 52 VAL HA A 53 PRO HBy 1.0 . 5.01 227 202 A 37 ALA HA A 28 GLN HGx 1.0 . 4.92 228 202 A 37 ALA HA A 28 GLN HGy 1.0 . 4.92 229 203 A 54 VAL HB A 37 ALA HB% 1.0 . 4.03 230 204 A 41 VAL HGx% A 52 VAL HGy% 1.0 . 4.74 231 205 A 64 LYS HA A 13 VAL HGx% 1.0 . 4.97 232 206 A 66 LEU HA A 66 LEU HDx% 1.0 . 4.66 233 207 A 40 GLN HA A 40 GLN HGx 1.0 . 4.19 234 208 A 52 VAL HGy% A 52 VAL H 1.0 . 3.62 235 209 A 52 VAL HB A 52 VAL H 1.0 . 3.68 236 210 A 38 TYR HA A 39 TYR H 1.0 . 3.23 237 211 A 53 PRO HA A 39 TYR H 1.0 . 4.35 238 212 A 39 TYR HA A 40 GLN H 1.0 . 3.23 239 213 A 40 GLN H A 25 GLY H 1.0 . 4.20 240 214 A 51 TYR HA A 52 VAL H 1.0 . 3.25 241 215 A 51 TYR HA A 41 VAL H 1.0 . 4.35 242 216 A 51 TYR HA A 39 TYR H 1.0 . 4.83 243 217 A 52 VAL H A 39 TYR H 1.0 . 4.08 244 218 A 39 TYR H A 54 VAL H 1.0 . 5.02 245 219 A 51 TYR HA A 52 VAL HGy% 1.0 . 4.37 246 220 A 52 VAL HGx% A 39 TYR H 1.0 . 4.52 247 221 A 52 VAL HGy% A 39 TYR H 1.0 . 4.94 248 222 A 50 ALA HA A 51 TYR H 1.0 . 3.23 249 223 A 50 ALA HB% A 51 TYR H 1.0 . 3.49 250 224 A 41 VAL H A 50 ALA H 1.0 . 4.08 251 225 A 40 GLN HA A 41 VAL H 1.0 . 3.19 252 226 A 41 VAL H A 41 VAL HB 1.0 . 3.65 253 227 A 41 VAL HGy% A 41 VAL H 1.0 . 3.66 254 228 A 41 VAL HGx% A 41 VAL H 1.0 . 4.31 255 229 A 49 LYS HA A 50 ALA H 1.0 . 3.24 256 230 A 49 LYS HA A 41 VAL H 1.0 . 5.38 257 231 A 48 SER HA A 49 LYS H 1.0 . 2.60 258 232 A 26 ILE HA A 27 ALA H 1.0 . 3.10 259 233 A 39 TYR HA A 27 ALA H 1.0 . 4.43 260 234 A 26 ILE HA A 40 GLN H 1.0 . 4.13 261 235 A 26 ILE HA A 38 TYR H 1.0 . 4.27 262 236 A 28 GLN HA A 38 TYR H 1.0 . 4.49 263 237 A 38 TYR HBy A 52 VAL H 1.0 . 4.44 264 238 A 38 TYR HBx A 38 TYR H 1.0 . 3.47 265 239 A 10 GLY H A 11 ASP H 1.0 . 3.75 266 240 A 25 GLY H A 40 GLN HE2x 1.0 . 5.50 267 241 A 10 GLY H A 23 VAL H 1.0 . 4.39 268 242 A 25 GLY H A 26 ILE H 1.0 . 4.77 269 243 A 38 TYR HBy A 39 TYR H 1.0 . 4.17 270 244 A 41 VAL HGx% A 22 VAL HA 1.0 . 4.61 271 245 A 43 PHE HA A 41 VAL HGx% 1.0 . 5.23 272 246 A 41 VAL HA A 24 ALA H 1.0 . 3.83 273 247 A 41 VAL HGy% A 24 ALA H 1.0 . 4.54 274 248 A 52 VAL HB A 39 TYR H 1.0 . 4.28 275 249 A 39 TYR HBy A 39 TYR H 1.0 . 3.74 276 250 A 39 TYR H A 40 GLN H 1.0 . 5.09 277 251 A 40 GLN H A 27 ALA H 1.0 . 4.64 278 252 A 38 TYR HA A 54 VAL H 1.0 . 3.91 279 253 A 27 ALA HA A 28 GLN H 1.0 . 2.94 280 254 A 55 GLU H A 55 GLU HGx 1.0 . 3.50 281 254 A 55 GLU HGy A 55 GLU H 1.0 . 3.50 282 255 A 28 GLN H A 28 GLN HBx 1.0 . 3.57 283 255 A 28 GLN HBy A 28 GLN H 1.0 . 3.57 284 256 A 28 GLN HE2y A 28 GLN HBx 1.0 . 3.71 285 256 A 28 GLN HBy A 28 GLN HE2y 1.0 . 3.71 286 257 A 54 VAL HGx% A 55 GLU H 1.0 . 4.24 287 258 A 54 VAL HGy% A 54 VAL H 1.0 . 3.86 288 259 A 54 VAL HGx% A 54 VAL H 1.0 . 3.47 289 260 A 39 TYR HBy A 40 GLN H 1.0 . 4.58 290 261 A 39 TYR HBx A 40 GLN H 1.0 . 4.47 291 262 A 27 ALA HB% A 27 ALA H 1.0 . 3.50 292 263 A 54 VAL HGx% A 39 TYR H 1.0 . 4.18 293 264 A 41 VAL HGy% A 39 TYR H 1.0 . 5.01 294 265 A 23 VAL HGx% A 39 TYR H 1.0 . 5.48 295 266 A 26 ILE HG2% A 39 TYR H 1.0 . 5.50 296 267 A 27 ALA HB% A 28 GLN H 1.0 . 3.73 297 268 A 27 ALA HB% A 38 TYR H 1.0 . 4.51 298 269 A 7 PHE HBx A 7 PHE H 1.0 . 3.72 299 270 A 24 ALA HB% A 24 ALA H 1.0 . 3.31 300 271 A 24 ALA HB% A 25 GLY H 1.0 . 3.67 301 272 A 25 GLY H A 24 ALA H 1.0 . 3.51 302 273 A 26 ILE H A 25 GLY HAx 1.0 . 3.38 303 274 A 26 ILE H A 25 GLY HAy 1.0 . 3.38 304 275 A 26 ILE HA A 26 ILE HG2% 1.0 . 3.35 305 276 A 41 VAL HGx% A 42 ASP H 1.0 . 3.61 306 277 A 41 VAL HGx% A 22 VAL H 1.0 . 3.74 307 278 A 54 VAL HGx% A 38 TYR H 1.0 . 4.60 308 279 A 41 VAL HGy% A 52 VAL H 1.0 . 4.39 309 280 A 26 ILE HG2% A 38 TYR H 1.0 . 4.02 310 281 A 52 VAL H A 51 TYR HBx 1.0 . 4.02 311 281 A 51 TYR HBy A 52 VAL H 1.0 . 4.02 312 282 A 20 VAL HA A 21 GLY H 1.0 . 3.25 313 283 A 26 ILE HG2% A 27 ALA H 1.0 . 3.57 314 284 A 37 ALA HB% A 27 ALA H 1.0 . 5.04 315 285 A 27 ALA H A 26 ILE HB 1.0 . 4.77 316 286 A 38 TYR HBx A 27 ALA H 1.0 . 4.09 317 287 A 35 SER HA A 36 ARG H 1.0 . 3.11 318 288 A 30 SER HA A 36 ARG H 1.0 . 4.41 319 289 A 58 HIS HE1 A 56 ALA HB% 1.0 . 4.06 320 290 A 37 ALA HA A 38 TYR H 1.0 . 3.13 321 291 A 14 VAL HA A 21 GLY H 1.0 . 4.14 322 292 A 7 PHE HA A 8 ARG H 1.0 . 3.13 323 293 A 53 PRO HA A 54 VAL H 1.0 . 3.30 324 294 A 54 VAL HB A 54 VAL H 1.0 . 3.67 325 295 A 23 VAL HB A 23 VAL H 1.0 . 3.50 326 296 A 22 VAL HA A 23 VAL H 1.0 . 3.17 327 297 A 23 VAL HA A 24 ALA H 1.0 . 3.14 328 298 A 9 PRO HA A 10 GLY H 1.0 . 3.10 329 299 A 23 VAL HGy% A 23 VAL H 1.0 . 3.43 330 300 A 23 VAL HGx% A 23 VAL H 1.0 . 3.80 331 301 A 23 VAL HB A 10 GLY H 1.0 . 3.80 332 302 A 11 ASP HBx A 11 ASP H 1.0 . 3.48 333 303 A 11 ASP HBy A 11 ASP H 1.0 . 3.70 334 304 A 11 ASP HBx A 12 LYS H 1.0 . 4.61 335 305 A 11 ASP H A 23 VAL H 1.0 . 4.58 336 306 A 22 VAL H A 21 GLY HAx 1.0 . 3.49 337 307 A 22 VAL H A 21 GLY HAy 1.0 . 3.49 338 308 A 21 GLY H A 13 VAL H 1.0 . 4.27 339 309 A 22 VAL H A 21 GLY H 1.0 . 4.93 340 310 A 23 VAL HGy% A 10 GLY H 1.0 . 4.46 341 311 A 23 VAL HGy% A 24 ALA H 1.0 . 4.86 342 312 A 23 VAL HGx% A 24 ALA H 1.0 . 3.53 343 313 A 49 LYS HBy A 49 LYS HEx 1.0 . 5.15 344 313 A 49 LYS HBx A 49 LYS HEx 1.0 . 5.15 345 313 A 49 LYS HEy A 49 LYS HBx 1.0 . 5.15 346 313 A 49 LYS HEy A 49 LYS HBy 1.0 . 5.15 347 314 A 49 LYS H A 48 SER H 1.0 . 4.77 348 315 A 48 SER H A 48 SER HBx 1.0 . 3.82 349 315 A 48 SER HBy A 48 SER H 1.0 . 3.82 350 316 A 49 LYS H A 48 SER HBx 1.0 . 3.68 351 316 A 48 SER HBy A 49 LYS H 1.0 . 3.68 352 317 A 11 ASP HBx A 8 ARG H 1.0 . 4.13 353 318 A 23 VAL HGy% A 11 ASP H 1.0 . 5.22 354 319 A 23 VAL HB A 11 ASP H 1.0 . 3.95 355 320 A 34 VAL H A 34 VAL HGx% 1.0 . 3.34 356 320 A 34 VAL HGy% A 34 VAL H 1.0 . 3.34 357 321 A 34 VAL H A 34 VAL HB 1.0 . 3.70 358 322 A 37 ALA HB% A 54 VAL H 1.0 . 4.55 359 323 A 30 SER HA A 34 VAL H 1.0 . 5.27 360 324 A 35 SER H A 34 VAL HGx% 1.0 . 4.22 361 324 A 34 VAL HGy% A 35 SER H 1.0 . 4.22 362 325 A 36 ARG H A 35 SER HBx 1.0 . 4.51 363 326 A 36 ARG H A 35 SER HBy 1.0 . 4.51 364 327 A 38 TYR HE% A 36 ARG H 1.0 . 4.35 365 328 A 36 ARG H A 29 ARG H 1.0 . 3.96 366 329 A 28 GLN HA A 29 ARG H 1.0 . 3.26 367 330 A 29 ARG H A 28 GLN HGx 1.0 . 4.36 368 330 A 28 GLN HGy A 29 ARG H 1.0 . 4.36 369 331 A 37 ALA HA A 29 ARG H 1.0 . 3.86 370 332 A 36 ARG HA A 37 ALA H 1.0 . 3.23 371 333 A 36 ARG H A 37 ALA H 1.0 . 5.11 372 334 A 38 TYR H A 37 ALA H 1.0 . 4.71 373 335 A 11 ASP H A 8 ARG H 1.0 . 4.95 374 336 A 37 ALA H A 36 ARG HDx 1.0 . 5.50 375 336 A 36 ARG HDy A 37 ALA H 1.0 . 5.50 376 337 A 18 TYR HD% A 18 TYR H 1.0 . 3.78 377 338 A 20 VAL H A 19 GLY HAx 1.0 . 3.51 378 339 A 13 VAL H A 65 ALA H 1.0 . 5.29 379 340 A 65 ALA H A 66 LEU H 1.0 . 5.50 380 341 A 65 ALA H A 14 VAL H 1.0 . 4.06 381 342 A 69 GLU H A 70 GLU H 1.0 . 4.38 382 343 A 34 VAL H A 31 VAL H 1.0 . 4.72 383 344 A 34 VAL H A 33 GLY H 1.0 . 4.86 384 345 A 54 VAL H A 55 GLU H 1.0 . 4.09 385 346 A 55 GLU H A 56 ALA H 1.0 . 4.19 386 347 A 15 LEU H A 19 GLY H 1.0 . 4.67 387 348 A 20 VAL H A 19 GLY H 1.0 . 4.86 388 349 A 18 TYR H A 16 PRO HA 1.0 . 3.79 389 350 A 18 TYR HD% A 18 TYR HA 1.0 . 3.69 390 351 A 18 TYR HBx A 19 GLY H 1.0 . 4.37 391 352 A 52 VAL HA A 52 VAL HGx% 1.0 . 3.54 392 353 A 14 VAL HA A 14 VAL HGy% 1.0 . 3.40 393 354 A 14 VAL HA A 14 VAL HB 1.0 . 2.60 394 355 A 14 VAL H A 14 VAL HGy% 1.0 . 4.08 395 356 A 41 VAL HGy% A 42 ASP H 1.0 . 4.37 396 357 A 22 VAL H A 22 VAL HGx% 1.0 . 4.13 397 358 A 31 VAL HB A 31 VAL H 1.0 . 3.97 398 359 A 31 VAL H A 31 VAL HGy% 1.0 . 5.06 399 360 A 31 VAL H A 31 VAL HGx% 1.0 . 5.06 400 361 A 22 VAL HA A 22 VAL HGx% 1.0 . 3.60 401 362 A 22 VAL HA A 22 VAL HGy% 1.0 . 3.60 402 363 A 23 VAL H A 22 VAL HGx% 1.0 . 3.99 403 364 A 23 VAL H A 22 VAL HB 1.0 . 5.13 404 365 A 11 ASP H A 12 LYS H 1.0 . 4.58 405 366 A 42 ASP H A 22 VAL H 1.0 . 3.82 406 367 A 21 GLY H A 20 VAL HB 1.0 . 4.57 407 368 A 20 VAL HA A 20 VAL HGx% 1.0 . 3.68 408 369 A 20 VAL H A 20 VAL HGx% 1.0 . 4.15 409 370 A 20 VAL H A 20 VAL HGy% 1.0 . 4.15 410 371 A 18 TYR H A 19 GLY H 1.0 . 3.67 411 372 A 18 TYR HBy A 18 TYR H 1.0 . 3.59 412 373 A 18 TYR HE% A 18 TYR HA 1.0 . 4.99 413 374 A 18 TYR HBy A 18 TYR HA 1.0 . 2.60 414 375 A 39 TYR HD% A 52 VAL H 1.0 . 4.85 415 376 A 27 ALA H A 38 TYR H 1.0 . 4.09 416 377 A 19 GLY H A 16 PRO HA 1.0 . 4.04 417 378 A 17 PRO HA A 19 GLY H 1.0 . 4.55 418 379 A 39 TYR HD% A 39 TYR H 1.0 . 3.93 419 380 A 14 VAL HA A 15 LEU H 1.0 . 3.46 420 381 A 12 LYS H A 11 ASP HA 1.0 . 2.98 421 382 A 41 VAL HA A 42 ASP H 1.0 . 3.11 422 383 A 43 PHE HBy A 43 PHE H 1.0 . 4.12 423 384 A 43 PHE HBx A 43 PHE H 1.0 . 3.92 424 385 A 14 VAL H A 63 ARG H 1.0 . 4.05 425 386 A 12 LYS HA A 13 VAL H 1.0 . 3.04 426 387 A 12 LYS H A 12 LYS HBy 1.0 . 3.50 427 388 A 63 ARG HA A 64 LYS H 1.0 . 2.57 428 389 A 13 VAL HA A 13 VAL HGy% 1.0 . 4.06 429 390 A 8 ARG H A 8 ARG HDx 1.0 . 4.66 430 390 A 8 ARG HDy A 8 ARG H 1.0 . 4.66 431 391 A 7 PHE H A 8 ARG H 1.0 . 4.91 432 392 A 7 PHE HBy A 7 PHE H 1.0 . 3.99 433 393 A 49 LYS HA A 43 PHE HD% 1.0 . 3.81 434 394 A 43 PHE HA A 43 PHE HD% 1.0 . 3.56 435 395 A 43 PHE HD% A 21 GLY HAy 1.0 . 3.97 436 396 A 39 TYR HE% A 54 VAL HA 1.0 . 3.23 437 397 A 38 TYR HA A 38 TYR HD% 1.0 . 3.51 438 398 A 39 TYR HE% A 7 PHE H 1.0 . 3.94 439 399 A 38 TYR HD% A 39 TYR H 1.0 . 4.53 440 400 A 51 TYR HA A 51 TYR HD% 1.0 . 3.66 441 401 A 38 TYR HD% A 51 TYR HBx 1.0 . 3.56 442 401 A 51 TYR HBy A 38 TYR HD% 1.0 . 3.56 443 402 A 51 TYR HA A 51 TYR HE% 1.0 . 4.85 444 403 A 51 TYR HA A 38 TYR HD% 1.0 . 4.44 445 404 A 51 TYR HE% A 38 TYR HBy 1.0 . 5.31 446 405 A 17 PRO HDy A 18 TYR H 1.0 . 4.21 447 406 A 23 VAL HGx% A 25 GLY H 1.0 . 3.43 448 407 A 41 VAL HGx% A 43 PHE HD% 1.0 . 4.32 449 408 A 41 VAL HGx% A 43 PHE HE% 1.0 . 3.55 450 409 A 41 VAL HGx% A 43 PHE HZ 1.0 . 3.93 451 410 A 51 TYR HA A 38 TYR HBy 1.0 . 3.91 452 411 A 62 LEU HA A 63 ARG H 1.0 . 3.55 453 412 A 60 VAL H A 60 VAL HA 1.0 . 2.94 454 413 A 60 VAL H A 61 GLY H 1.0 . 4.05 455 414 A 43 PHE HD% A 19 GLY H 1.0 . 5.42 456 415 A 38 TYR HD% A 54 VAL H 1.0 . 4.62 457 416 A 7 PHE HD% A 7 PHE H 1.0 . 3.51 458 417 A 17 PRO HDx A 18 TYR H 1.0 . 4.49 459 418 A 58 HIS HD2 A 58 HIS HBx 1.0 . 3.83 460 418 A 58 HIS HBy A 58 HIS HD2 1.0 . 3.83 461 419 A 6 GLU H A 6 GLU HBx 1.0 . 3.73 462 419 A 6 GLU HBy A 6 GLU H 1.0 . 3.73 463 420 A 7 PHE H A 6 GLU HBx 1.0 . 3.73 464 420 A 6 GLU HBy A 7 PHE H 1.0 . 3.73 465 421 A 7 PHE HBx A 8 ARG H 1.0 . 4.86 466 422 A 7 PHE HBy A 8 ARG H 1.0 . 3.87 467 423 A 11 ASP HBy A 12 LYS H 1.0 . 3.89 468 424 A 54 VAL HGx% A 54 VAL HA 1.0 . 3.38 469 425 A 54 VAL HGy% A 54 VAL HA 1.0 . 3.39 470 426 A 7 PHE HD% A 7 PHE HA 1.0 . 3.48 471 427 A 54 VAL HA A 37 ALA HB% 1.0 . 5.50 472 428 A 54 VAL HA A 52 VAL HGx% 1.0 . 5.50 473 429 A 60 VAL H A 60 VAL HGx% 1.0 . 3.83 474 430 A 61 GLY H A 62 LEU H 1.0 . 4.94 475 431 A 13 VAL HA A 65 ALA H 1.0 . 3.54 476 432 A 43 PHE HE% A 15 LEU H 1.0 . 4.46 477 433 A 21 GLY H A 15 LEU H 1.0 . 4.70 478 434 A 21 GLY H A 20 VAL H 1.0 . 5.18 479 435 A 30 SER HA A 31 VAL H 1.0 . 3.54 480 436 A 5 LYS HA A 6 GLU H 1.0 . 3.35 481 437 A 40 GLN HA A 51 TYR HE% 1.0 . 4.25 482 438 A 39 TYR HA A 25 GLY H 1.0 . 4.30 483 439 A 7 PHE HD% A 8 ARG H 1.0 . 3.50 484 440 A 64 LYS HA A 14 VAL H 1.0 . 4.38 485 441 A 64 LYS HA A 65 ALA H 1.0 . 3.12 486 442 A 9 PRO HA A 11 ASP H 1.0 . 3.67 487 443 A 42 ASP H A 42 ASP HBy 1.0 . 3.59 488 444 A 42 ASP H A 42 ASP HBx 1.0 . 3.59 489 445 A 36 ARG HGy A 36 ARG H 1.0 . 2.74 490 446 A 36 ARG HGx A 36 ARG H 1.0 . 4.04 491 447 A 36 ARG HGx A 36 ARG HDx 1.0 . 2.62 492 447 A 36 ARG HDy A 36 ARG HGx 1.0 . 2.62 493 448 A 36 ARG HDy A 36 ARG HBy 1.0 . 2.99 494 448 A 36 ARG HBy A 36 ARG HDx 1.0 . 2.99 495 449 A 35 SER HA A 31 VAL H 1.0 . 4.68 496 450 A 7 PHE HZ A 63 ARG HA 1.0 . 3.74 497 451 A 15 LEU HA A 16 PRO HDy 1.0 . 3.71 498 452 A 43 PHE HA A 44 PRO HDx 1.0 . 3.62 499 453 A 53 PRO HA A 55 GLU H 1.0 . 5.08 500 454 A 11 ASP HBy A 8 ARG H 1.0 . 4.43 501 455 A 8 ARG HBy A 8 ARG H 1.0 . 3.80 502 456 A 8 ARG H A 8 ARG HBx 1.0 . 3.66 503 457 A 29 ARG H A 28 GLN HBx 1.0 . 3.46 504 457 A 28 GLN HBy A 29 ARG H 1.0 . 3.46 505 458 A 40 GLN H A 40 GLN HBy 1.0 . 3.91 506 459 A 41 VAL H A 40 GLN HBy 1.0 . 5.50 507 460 A 26 ILE H A 26 ILE HB 1.0 . 3.56 508 461 A 66 LEU H A 66 LEU HBx 1.0 . 3.35 509 461 A 66 LEU HBy A 66 LEU H 1.0 . 3.35 510 462 A 70 GLU H A 69 GLU HBx 1.0 . 4.54 511 462 A 70 GLU H A 69 GLU HBy 1.0 . 4.54 512 463 A 8 ARG H A 8 ARG HGy 1.0 . 4.75 513 464 A 48 SER H A 47 ARG HGx 1.0 . 5.48 514 464 A 48 SER H A 47 ARG HGy 1.0 . 5.48 515 465 A 51 TYR H A 51 TYR HBx 1.0 . 3.54 516 465 A 51 TYR HBy A 51 TYR H 1.0 . 3.54 517 466 A 23 VAL HA A 25 GLY H 1.0 . 4.58 518 467 A 56 ALA H A 55 GLU HGx 1.0 . 3.87 519 467 A 55 GLU HGy A 56 ALA H 1.0 . 3.87 520 468 A 56 ALA H A 55 GLU HBx 1.0 . 3.93 521 468 A 56 ALA H A 55 GLU HBy 1.0 . 3.93 522 469 A 55 GLU H A 55 GLU HBx 1.0 . 3.31 523 469 A 55 GLU H A 55 GLU HBy 1.0 . 3.31 524 470 A 14 VAL H A 13 VAL HGx% 1.0 . 4.15 525 471 A 39 TYR HE% A 39 TYR H 1.0 . 4.45 526 472 A 66 LEU HA A 67 ALA H 1.0 . 2.71 527 473 A 23 VAL HA A 42 ASP H 1.0 . 4.33 528 474 A 63 ARG H A 62 LEU HDy% 1.0 . 4.97 529 475 A 62 LEU HG A 63 ARG H 1.0 . 4.17 530 476 A 26 ILE HG2% A 26 ILE H 1.0 . 4.10 531 477 A 43 PHE HD% A 50 ALA H 1.0 . 4.86 532 478 A 65 ALA HB% A 66 LEU H 1.0 . 3.94 533 479 A 54 VAL HB A 55 GLU H 1.0 . 4.11 534 480 A 55 GLU H A 53 PRO HBx 1.0 . 4.60 535 481 A 58 HIS HA A 58 HIS HD2 1.0 . 4.93 536 482 A 65 ALA HB% A 14 VAL H 1.0 . 4.41 537 483 A 50 ALA HB% A 41 VAL H 1.0 . 4.29 538 484 A 26 ILE HD1% A 27 ALA H 1.0 . 4.85 539 485 A 10 GLY H A 9 PRO HBy 1.0 . 4.42 540 486 A 39 TYR HD% A 27 ALA H 1.0 . 5.33 541 487 A 24 ALA H A 42 ASP H 1.0 . 4.64 542 488 A 23 VAL HGx% A 8 ARG H 1.0 . 5.15 543 489 A 23 VAL HGy% A 8 ARG H 1.0 . 4.66 544 490 A 23 VAL HGx% A 40 GLN H 1.0 . 4.23 545 491 A 41 VAL HGy% A 40 GLN H 1.0 . 4.78 546 492 A 41 VAL HGy% A 50 ALA H 1.0 . 4.37 547 493 A 36 ARG H A 34 VAL HGx% 1.0 . 4.62 548 493 A 34 VAL HGy% A 36 ARG H 1.0 . 4.62 549 494 A 52 VAL HGy% A 51 TYR H 1.0 . 4.69 550 495 A 29 ARG H A 29 ARG HGx 1.0 . 5.07 551 496 A 54 VAL HGy% A 39 TYR HE% 1.0 . 4.59 552 497 A 7 PHE HD% A 13 VAL HGy% 1.0 . 4.76 553 498 A 54 VAL HGx% A 39 TYR HE% 1.0 . 3.96 554 499 A 54 VAL HGy% A 38 TYR HD% 1.0 . 5.15 555 500 A 54 VAL HGx% A 38 TYR HD% 1.0 . 5.44 556 501 A 39 TYR HE% A 26 ILE HG2% 1.0 . 4.00 557 502 A 23 VAL HGy% A 39 TYR HE% 1.0 . 5.50 558 503 A 23 VAL HGx% A 39 TYR HD% 1.0 . 3.65 559 504 A 7 PHE HD% A 23 VAL HGx% 1.0 . 5.15 560 505 A 26 ILE HG2% A 28 GLN HE2x 1.0 . 5.07 561 506 A 39 TYR HE% A 26 ILE HD1% 1.0 . 3.67 562 507 A 18 TYR HE% A 15 LEU HDx% 1.0 . 4.61 563 508 A 18 TYR HD% A 15 LEU HDx% 1.0 . 4.20 564 509 A 37 ALA HB% A 28 GLN HE2x 1.0 . 4.28 565 510 A 50 ALA HB% A 43 PHE HZ 1.0 . 3.08 566 511 A 50 ALA HB% A 18 TYR HE% 1.0 . 3.92 567 512 A 39 TYR HE% A 37 ALA HB% 1.0 . 5.11 568 513 A 39 TYR HE% A 52 VAL HGx% 1.0 . 5.27 569 514 A 7 PHE HD% A 52 VAL HGy% 1.0 . 5.10 570 515 A 7 PHE HD% A 62 LEU HG 1.0 . 5.50 571 516 A 52 VAL HGy% A 39 TYR HD% 1.0 . 3.91 572 517 A 39 TYR HD% A 26 ILE HG1x 1.0 . 4.19 573 518 A 26 ILE HD1% A 39 TYR HD% 1.0 . 3.93 574 519 A 38 TYR HD% A 37 ALA HB% 1.0 . 5.14 575 520 A 38 TYR HD% A 52 VAL HGx% 1.0 . 5.44 576 521 A 38 TYR HD% A 29 ARG HBx 1.0 . 4.39 577 522 A 51 TYR HE% A 27 ALA HB% 1.0 . 3.50 578 523 A 18 TYR HE% A 15 LEU HG 1.0 . 4.56 579 524 A 38 TYR HD% A 36 ARG HBx 1.0 . 4.99 580 525 A 7 PHE HE% A 64 LYS HDx 1.0 . 4.43 581 525 A 7 PHE HE% A 64 LYS HDy 1.0 . 4.43 582 526 A 43 PHE HD% A 18 TYR HBx 1.0 . 3.51 583 527 A 38 TYR HD% A 29 ARG HBy 1.0 . 4.39 584 528 A 7 PHE HE% A 64 LYS HGx 1.0 . 4.40 585 529 A 43 PHE HZ A 41 VAL HB 1.0 . 3.21 586 530 A 38 TYR HD% A 36 ARG HGy 1.0 . 5.50 587 531 A 39 TYR HE% A 6 GLU HBx 1.0 . 4.69 588 531 A 39 TYR HE% A 6 GLU HBy 1.0 . 4.69 589 532 A 7 PHE HE% A 11 ASP HBy 1.0 . 5.14 590 533 A 39 TYR HE% A 57 PRO HBx 1.0 . 3.83 591 534 A 39 TYR HE% A 52 VAL HB 1.0 . 4.56 592 535 A 7 PHE HZ A 57 PRO HBx 1.0 . 5.31 593 536 A 7 PHE HD% A 57 PRO HBx 1.0 . 4.33 594 537 A 43 PHE HE% A 18 TYR HBy 1.0 . 4.84 595 538 A 38 TYR HD% A 53 PRO HBy 1.0 . 4.14 596 539 A 38 TYR HE% A 53 PRO HBy 1.0 . 3.62 597 540 A 38 TYR HE% A 51 TYR HBx 1.0 . 4.53 598 540 A 51 TYR HBy A 38 TYR HE% 1.0 . 4.53 599 541 A 17 PRO HDy A 18 TYR HE% 1.0 . 5.41 600 542 A 40 GLN HE2y A 49 LYS HEx 1.0 . 5.39 601 542 A 49 LYS HEy A 40 GLN HE2y 1.0 . 5.39 602 543 A 43 PHE HD% A 48 SER HBx 1.0 . 4.11 603 543 A 48 SER HBy A 43 PHE HD% 1.0 . 4.11 604 544 A 53 PRO HA A 38 TYR HD% 1.0 . 3.83 605 545 A 38 TYR HD% A 53 PRO HDy 1.0 . 4.16 606 546 A 53 PRO HDx A 38 TYR HE% 1.0 . 4.54 607 547 A 53 PRO HA A 38 TYR HE% 1.0 . 4.16 608 548 A 38 TYR HE% A 53 PRO HDy 1.0 . 4.15 609 549 A 64 LYS HA A 7 PHE HE% 1.0 . 4.11 610 550 A 40 GLN HA A 51 TYR HD% 1.0 . 3.88 611 551 A 36 ARG HA A 28 GLN HE2x 1.0 . 4.66 612 552 A 7 PHE HE% A 7 PHE HA 1.0 . 4.60 613 553 A 39 TYR HA A 39 TYR HD% 1.0 . 3.22 614 554 A 7 PHE HE% A 63 ARG HA 1.0 . 4.40 615 555 A 28 GLN HA A 28 GLN HE2x 1.0 . 4.07 616 556 A 49 LYS HA A 43 PHE HE% 1.0 . 4.29 617 557 A 42 ASP HA A 43 PHE HD% 1.0 . 3.62 618 558 A 43 PHE HE% A 19 GLY H 1.0 . 5.50 619 559 A 18 TYR HD% A 19 GLY H 1.0 . 4.76 620 560 A 39 TYR HE% A 54 VAL H 1.0 . 5.01 621 561 A 7 PHE HE% A 7 PHE H 1.0 . 5.26 622 562 A 18 TYR HE% A 18 TYR H 1.0 . 4.76 623 563 A 43 PHE HD% A 43 PHE H 1.0 . 3.70 624 564 A 51 TYR HE% A 51 TYR H 1.0 . 5.50 625 565 A 37 ALA H A 28 GLN HE2x 1.0 . 5.50 626 566 A 51 TYR H A 51 TYR HD% 1.0 . 3.82 627 567 A 38 TYR HD% A 29 ARG H 1.0 . 4.00 628 568 A 38 TYR HE% A 29 ARG H 1.0 . 4.42 629 569 A 7 PHE HZ A 64 LYS H 1.0 . 4.37 630 570 A 7 PHE HE% A 64 LYS H 1.0 . 4.51 631 571 A 39 TYR HD% A 40 GLN H 1.0 . 4.25 632 572 A 43 PHE HE% A 50 ALA H 1.0 . 3.68 633 573 A 43 PHE HE% A 21 GLY H 1.0 . 4.86 634 574 A 38 TYR HD% A 38 TYR H 1.0 . 3.92 635 575 A 38 TYR HD% A 52 VAL H 1.0 . 4.30 636 576 A 52 VAL H A 51 TYR HD% 1.0 . 4.62 637 577 A 27 ALA H A 26 ILE H 1.0 . 4.56 638 578 A 52 VAL H A 51 TYR H 1.0 . 4.96 639 579 A 41 VAL HGy% A 43 PHE HE% 1.0 . 4.37 640 580 A 41 VAL HGy% A 43 PHE HZ 1.0 . 4.57 641 581 A 7 PHE HE% A 62 LEU HDy% 1.0 . 4.38 642 582 A 7 PHE HD% A 23 VAL HGy% 1.0 . 4.13 643 583 A 41 VAL HGx% A 21 GLY H 1.0 . 5.07 644 584 A 41 VAL HGx% A 50 ALA H 1.0 . 4.77 645 585 A 54 VAL HGx% A 37 ALA H 1.0 . 4.71 646 586 A 14 VAL H A 13 VAL HGy% 1.0 . 4.15 647 587 A 13 VAL H A 13 VAL HGy% 1.0 . 3.78 648 588 A 13 VAL H A 13 VAL HGx% 1.0 . 3.78 649 589 A 54 VAL HGy% A 55 GLU H 1.0 . 3.47 650 590 A 54 VAL HGy% A 39 TYR H 1.0 . 5.50 651 591 A 41 VAL HGx% A 24 ALA H 1.0 . 5.10 652 592 A 52 VAL HGx% A 54 VAL H 1.0 . 5.50 653 593 A 54 VAL HGx% A 57 PRO HBy 1.0 . 4.85 654 594 A 13 VAL HB A 62 LEU HDx% 1.0 . 4.80 655 595 A 54 VAL HGx% A 28 GLN HGx 1.0 . 5.50 656 595 A 54 VAL HGx% A 28 GLN HGy 1.0 . 5.50 657 596 A 62 LEU HA A 62 LEU HDx% 1.0 . 4.36 658 597 A 41 VAL HGx% A 15 LEU HBx 1.0 . 4.64 659 598 A 54 VAL HGx% A 37 ALA HB% 1.0 . 3.22 660 599 A 54 VAL HGx% A 26 ILE HG2% 1.0 . 3.70 661 600 A 41 VAL HGy% A 62 LEU HDx% 1.0 . 5.50 662 601 A 13 VAL HGx% A 62 LEU HDx% 1.0 . 4.31 663 602 A 31 VAL HA A 31 VAL HGy% 1.0 . 3.31 664 603 A 41 VAL H A 40 GLN HGx 1.0 . 5.50 665 604 A 63 ARG H A 62 LEU HDx% 1.0 . 4.97 666 605 A 41 VAL H A 42 ASP H 1.0 . 5.27 667 606 A 43 PHE HE% A 15 LEU HG 1.0 . 5.50 668 607 A 43 PHE HZ A 15 LEU HG 1.0 . 5.50 669 608 A 23 VAL HA A 24 ALA HB% 1.0 . 4.72 670 609 A 41 VAL HGy% A 23 VAL HA 1.0 . 3.40 671 610 A 23 VAL HGy% A 7 PHE HBy 1.0 . 3.64 672 611 A 50 ALA HB% A 41 VAL HGx% 1.0 . 4.19 673 612 A 54 VAL HGy% A 37 ALA HB% 1.0 . 3.69 674 613 A 23 VAL HGy% A 13 VAL HGy% 1.0 . 3.35 675 614 A 23 VAL HGy% A 13 VAL HGx% 1.0 . 3.35 676 615 A 41 VAL HGy% A 39 TYR HBx 1.0 . 3.46 677 616 A 23 VAL HGy% A 39 TYR HBx 1.0 . 3.99 678 617 A 10 GLY HAy A 22 VAL HGy% 1.0 . 4.88 679 618 A 23 VAL HGx% A 25 GLY HAy 1.0 . 4.97 680 619 A 67 ALA HA A 12 LYS HDx 1.0 . 5.50 681 619 A 67 ALA HA A 12 LYS HDy 1.0 . 5.50 682 620 A 51 TYR HE% A 49 LYS HDx 1.0 . 5.13 683 620 A 51 TYR HE% A 49 LYS HDy 1.0 . 5.13 684 621 A 24 ALA HB% A 40 GLN HE2y 1.0 . 5.31 685 622 A 50 ALA HB% A 18 TYR HD% 1.0 . 4.53 686 623 A 38 TYR HBy A 51 TYR HD% 1.0 . 3.66 687 624 A 17 PRO HDx A 18 TYR HE% 1.0 . 4.10 688 625 A 39 TYR HE% A 7 PHE HBy 1.0 . 4.89 689 626 A 24 ALA HB% A 40 GLN HE2x 1.0 . 4.21 690 627 A 65 ALA H A 64 LYS HBy 1.0 . 5.50 691 628 A 65 ALA H A 64 LYS HBx 1.0 . 5.50 692 629 A 53 PRO HBy A 54 VAL H 1.0 . 4.05 693 630 A 39 TYR HE% A 57 PRO HA 1.0 . 4.69 694 631 A 30 SER HA A 31 VAL HB 1.0 . 4.91 695 632 A 63 ARG HA A 63 ARG HDx 1.0 . 5.50 696 633 A 63 ARG HA A 63 ARG HDy 1.0 . 5.50 697 634 A 7 PHE HZ A 13 VAL HA 1.0 . 5.50 698 635 A 39 TYR HE% A 7 PHE HA 1.0 . 5.50 699 636 A 43 PHE HE% A 43 PHE H 1.0 . 4.56 700 637 A 43 PHE HE% A 49 LYS H 1.0 . 4.77 701 638 A 24 ALA HB% A 40 GLN H 1.0 . 4.70 702 639 A 37 ALA HB% A 28 GLN H 1.0 . 4.68 703 640 A 41 VAL HGy% A 39 TYR HBy 1.0 . 3.83 704 641 A 23 VAL HGx% A 39 TYR HBx 1.0 . 3.90 705 642 A 23 VAL HGy% A 39 TYR HBy 1.0 . 4.99 706 643 A 15 LEU HBy A 15 LEU HDx% 1.0 . 4.03 707 644 A 52 VAL HB A 39 TYR HBx 1.0 . 2.60 708 645 A 38 TYR HBx A 51 TYR HBx 1.0 . 3.62 709 645 A 38 TYR HBx A 51 TYR HBy 1.0 . 3.62 710 646 A 52 VAL HA A 60 VAL HGx% 1.0 . 4.42 711 647 A 57 PRO HA A 52 VAL HGx% 1.0 . 3.34 712 648 A 53 PRO HDx A 52 VAL HGx% 1.0 . 4.07 713 649 A 53 PRO HDx A 60 VAL HGx% 1.0 . 4.03 714 650 A 53 PRO HDx A 60 VAL HGy% 1.0 . 4.03 715 651 A 52 VAL HGx% A 53 PRO HDy 1.0 . 3.62 716 652 A 67 ALA HB% A 68 PRO HDy 1.0 . 3.86 717 653 A 38 TYR HBx A 27 ALA HB% 1.0 . 3.47 718 654 A 52 VAL HGy% A 39 TYR HBy 1.0 . 4.56 719 655 A 41 VAL HGy% A 52 VAL HGy% 1.0 . 3.61 720 656 A 50 ALA HB% A 41 VAL HGy% 1.0 . 4.08 721 657 A 13 VAL HGx% A 62 LEU HDy% 1.0 . 4.31 722 658 A 41 VAL HGy% A 62 LEU HDy% 1.0 . 5.50 723 659 A 13 VAL HGy% A 62 LEU HDy% 1.0 . 4.31 724 660 A 41 VAL HGy% A 23 VAL HGy% 1.0 . 5.50 725 661 A 56 ALA HB% A 58 HIS HD2 1.0 . 5.50 726 662 A 10 GLY H A 9 PRO HBx 1.0 . 4.42 727 663 A 10 GLY H A 22 VAL HB 1.0 . 5.50 728 664 A 29 ARG H A 29 ARG HGy 1.0 . 5.07 729 665 A 20 VAL H A 19 GLY HAy 1.0 . 3.51 730 666 A 42 ASP H A 22 VAL HB 1.0 . 5.50 731 667 A 15 LEU H A 14 VAL HB 1.0 . 5.50 732 668 A 11 ASP H A 8 ARG HBx 1.0 . 5.50 733 669 A 15 LEU HG A 15 LEU H 1.0 . 5.50 734 670 A 15 LEU HG A 18 TYR H 1.0 . 5.50 735 671 A 65 ALA H A 66 LEU HBx 1.0 . 5.50 736 671 A 66 LEU HBy A 65 ALA H 1.0 . 5.50 737 672 A 36 ARG HGx A 37 ALA H 1.0 . 5.50 738 673 A 49 LYS H A 49 LYS HGy 1.0 . 5.50 739 674 A 49 LYS H A 49 LYS HGx 1.0 . 5.50 740 675 A 40 GLN HE2x A 49 LYS HDx 1.0 . 4.71 741 675 A 40 GLN HE2x A 49 LYS HDy 1.0 . 4.71 742 676 A 50 ALA H A 41 VAL HB 1.0 . 5.21 743 677 A 62 LEU H A 62 LEU HBx 1.0 . 3.73 744 678 A 38 TYR HBx A 51 TYR HD% 1.0 . 3.30 745 679 A 51 TYR HA A 41 VAL HGy% 1.0 . 3.91 746 680 A 20 VAL H A 20 VAL HB 1.0 . 3.21 747 681 A 18 TYR HBy A 19 GLY H 1.0 . 4.14 748 682 A 41 VAL H A 40 GLN HBx 1.0 . 5.50 749 683 A 41 VAL H A 40 GLN HGy 1.0 . 5.50 750 684 A 13 VAL HB A 14 VAL H 1.0 . 3.30 751 685 A 14 VAL H A 14 VAL HGx% 1.0 . 4.08 752 686 A 40 GLN H A 40 GLN HBx 1.0 . 3.91 753 687 A 50 ALA H A 49 LYS HBx 1.0 . 3.32 754 687 A 49 LYS HBy A 50 ALA H 1.0 . 3.32 755 688 A 23 VAL H A 22 VAL HGy% 1.0 . 3.99 756 689 A 12 LYS H A 12 LYS HBx 1.0 . 3.50 757 690 A 22 VAL H A 22 VAL HB 1.0 . 3.78 758 691 A 22 VAL H A 22 VAL HGy% 1.0 . 4.13 759 692 A 26 ILE HD1% A 26 ILE H 1.0 . 2.71 760 693 A 31 VAL H A 34 VAL HGx% 1.0 . 4.62 761 693 A 34 VAL HGy% A 31 VAL H 1.0 . 4.62 762 694 A 49 LYS H A 49 LYS HBx 1.0 . 3.39 763 694 A 49 LYS HBy A 49 LYS H 1.0 . 3.39 764 695 A 24 ALA HB% A 42 ASP H 1.0 . 4.68 765 696 A 23 VAL HGx% A 11 ASP H 1.0 . 5.15 766 697 A 37 ALA HB% A 37 ALA H 1.0 . 3.04 767 698 A 39 TYR HBx A 39 TYR H 1.0 . 3.61 768 699 A 38 TYR HBx A 39 TYR H 1.0 . 4.48 769 700 A 37 ALA HB% A 38 TYR H 1.0 . 3.66 770 701 A 60 VAL H A 60 VAL HGy% 1.0 . 3.83 771 702 A 27 ALA HB% A 51 TYR HD% 1.0 . 3.88 772 703 A 8 ARG HA A 9 PRO HDx 1.0 . 3.41 773 704 A 52 VAL HA A 53 PRO HDy 1.0 . 3.57 774 705 A 8 ARG HA A 8 ARG HGy 1.0 . 2.81 775 706 A 47 ARG HA A 47 ARG HGx 1.0 . 3.42 776 706 A 47 ARG HA A 47 ARG HGy 1.0 . 3.42 777 707 A 8 ARG HGx A 9 PRO HDx 1.0 . 3.29 778 708 A 37 ALA HB% A 28 GLN HGx 1.0 . 3.28 779 708 A 37 ALA HB% A 28 GLN HGy 1.0 . 3.28 780 709 A 52 VAL HGx% A 57 PRO HBx 1.0 . 3.65 781 710 A 15 LEU HBy A 15 LEU HDy% 1.0 . 4.03 782 711 A 66 LEU HBx A 66 LEU HDy% 1.0 . 2.96 783 711 A 66 LEU HBy A 66 LEU HDy% 1.0 . 2.96 784 712 A 50 ALA HB% A 41 VAL HB 1.0 . 2.79 785 713 A 15 LEU HDx% A 15 LEU HBx 1.0 . 4.03 786 714 A 26 ILE HG2% A 26 ILE HD1% 1.0 . 4.00 787 715 A 62 LEU H A 62 LEU HBy 1.0 . 3.73 788 716 A 56 ALA H A 53 PRO HBx 1.0 . 3.97 789 717 A 20 VAL HA A 14 VAL HA 1.0 . 3.14 790 718 A 56 ALA HB% A 59 SER HBx 1.0 . 3.84 791 718 A 56 ALA HB% A 59 SER HBy 1.0 . 3.84 792 719 A 56 ALA HA A 57 PRO HDx 1.0 . 3.10 793 720 A 56 ALA HA A 57 PRO HDy 1.0 . 3.10 794 721 A 62 LEU HA A 15 LEU HA 1.0 . 3.95 795 722 A 15 LEU HA A 16 PRO HDx 1.0 . 3.71 796 723 A 67 ALA HA A 68 PRO HDx 1.0 . 3.89 797 724 A 29 ARG HA A 29 ARG HGy 1.0 . 3.85 798 725 A 36 ARG HA A 36 ARG HDx 1.0 . 4.28 799 725 A 36 ARG HDy A 36 ARG HA 1.0 . 4.28 800 726 A 47 ARG HA A 47 ARG HBx 1.0 . 3.02 801 727 A 8 ARG HBx A 8 ARG HDx 1.0 . 2.83 802 727 A 8 ARG HDy A 8 ARG HBx 1.0 . 2.83 803 728 A 26 ILE HA A 26 ILE HD1% 1.0 . 3.14 804 729 A 26 ILE HG2% A 26 ILE HG1y 1.0 . 3.69 805 730 A 26 ILE HD1% A 26 ILE HB 1.0 . 3.56 806 731 A 17 PRO HA A 16 PRO HBx 1.0 . 4.40 807 732 A 41 VAL HGy% A 39 TYR HA 1.0 . 4.99 808 733 A 41 VAL HGy% A 52 VAL HGx% 1.0 . 5.50 809 734 A 5 LYS HA A 5 LYS HGx 1.0 . 3.50 810 734 A 5 LYS HA A 5 LYS HGy 1.0 . 3.50 811 735 A 51 TYR HA A 40 GLN HA 1.0 . 3.67 812 736 A 8 ARG HA A 8 ARG HDx 1.0 . 4.05 813 736 A 8 ARG HA A 8 ARG HDy 1.0 . 4.05 814 737 A 8 ARG HA A 9 PRO HDy 1.0 . 3.41 815 738 A 3 HIS HD2 A 3 HIS HBx 1.0 . 3.26 816 738 A 3 HIS HD2 A 3 HIS HBy 1.0 . 3.26 817 739 A 4 MET H A 4 MET HBx 1.0 . 3.39 818 739 A 4 MET H A 4 MET HBy 1.0 . 3.39 819 740 A 4 MET HA A 4 MET HGx 1.0 . 3.03 820 740 A 4 MET HA A 4 MET HGy 1.0 . 3.03 821 741 A 7 PHE HBy A 13 VAL HGy% 1.0 . 4.05 822 741 A 7 PHE HBy A 13 VAL HGx% 1.0 . 4.05 823 742 A 7 PHE HD% A 13 VAL HGy% 1.0 . 3.57 824 742 A 7 PHE HD% A 13 VAL HGx% 1.0 . 3.57 825 743 A 7 PHE HD% A 62 LEU HBx 1.0 . 5.05 826 743 A 7 PHE HD% A 62 LEU HBy 1.0 . 5.05 827 744 A 7 PHE HD% A 62 LEU HDy% 1.0 . 4.31 828 744 A 7 PHE HD% A 62 LEU HDx% 1.0 . 4.31 829 745 A 7 PHE HD% A 64 LYS HGx 1.0 . 3.47 830 745 A 7 PHE HD% A 64 LYS HGy 1.0 . 3.47 831 746 A 7 PHE HD% A 64 LYS HEx 1.0 . 4.21 832 746 A 7 PHE HD% A 64 LYS HEy 1.0 . 4.21 833 747 A 7 PHE HE% A 13 VAL HGy% 1.0 . 3.76 834 747 A 7 PHE HE% A 13 VAL HGx% 1.0 . 3.76 835 748 A 7 PHE HE% A 57 PRO HGx 1.0 . 4.28 836 748 A 7 PHE HE% A 57 PRO HGy 1.0 . 4.28 837 749 A 7 PHE HE% A 62 LEU HBx 1.0 . 4.21 838 749 A 7 PHE HE% A 62 LEU HBy 1.0 . 4.21 839 750 A 7 PHE HE% A 62 LEU HDy% 1.0 . 3.71 840 750 A 7 PHE HE% A 62 LEU HDx% 1.0 . 3.71 841 751 A 7 PHE HE% A 64 LYS HBy 1.0 . 3.85 842 751 A 7 PHE HE% A 64 LYS HBx 1.0 . 3.85 843 752 A 7 PHE HE% A 64 LYS HGx 1.0 . 3.85 844 752 A 7 PHE HE% A 64 LYS HGy 1.0 . 3.85 845 753 A 7 PHE HE% A 64 LYS HEx 1.0 . 4.61 846 753 A 7 PHE HE% A 64 LYS HEy 1.0 . 4.61 847 754 A 7 PHE HZ A 13 VAL HGy% 1.0 . 3.91 848 754 A 7 PHE HZ A 13 VAL HGx% 1.0 . 3.91 849 755 A 7 PHE HZ A 62 LEU HDy% 1.0 . 4.46 850 755 A 7 PHE HZ A 62 LEU HDx% 1.0 . 4.46 851 756 A 7 PHE HZ A 63 ARG HBx 1.0 . 5.34 852 756 A 7 PHE HZ A 63 ARG HBy 1.0 . 5.34 853 757 A 7 PHE HZ A 64 LYS HGx 1.0 . 4.57 854 757 A 7 PHE HZ A 64 LYS HGy 1.0 . 4.57 855 758 A 8 ARG HA A 9 PRO HDx 1.0 . 2.76 856 758 A 8 ARG HA A 9 PRO HDy 1.0 . 2.76 857 759 A 8 ARG HBy A 9 PRO HDx 1.0 . 3.25 858 759 A 8 ARG HBy A 9 PRO HDy 1.0 . 3.25 859 760 A 10 GLY H A 9 PRO HBy 1.0 . 3.83 860 760 A 10 GLY H A 9 PRO HBx 1.0 . 3.83 861 761 A 23 VAL HGx% A 9 PRO HBy 1.0 . 4.80 862 761 A 23 VAL HGx% A 9 PRO HBx 1.0 . 4.80 863 762 A 10 GLY H A 22 VAL HGy% 1.0 . 3.83 864 762 A 10 GLY H A 22 VAL HGx% 1.0 . 3.83 865 763 A 10 GLY HAy A 22 VAL HGy% 1.0 . 3.20 866 763 A 22 VAL HGx% A 10 GLY HAx 1.0 . 3.20 867 763 A 22 VAL HGx% A 10 GLY HAy 1.0 . 3.20 868 763 A 10 GLY HAx A 22 VAL HGy% 1.0 . 3.20 869 764 A 11 ASP HBx A 13 VAL HGy% 1.0 . 4.00 870 764 A 11 ASP HBx A 13 VAL HGx% 1.0 . 4.00 871 765 A 11 ASP HBy A 13 VAL HGy% 1.0 . 3.02 872 765 A 11 ASP HBy A 13 VAL HGx% 1.0 . 3.02 873 766 A 12 LYS H A 12 LYS HBy 1.0 . 2.88 874 766 A 12 LYS H A 12 LYS HBx 1.0 . 2.88 875 767 A 12 LYS H A 12 LYS HGx 1.0 . 3.94 876 767 A 12 LYS H A 12 LYS HGy 1.0 . 3.94 877 768 A 12 LYS H A 13 VAL HGy% 1.0 . 4.43 878 768 A 12 LYS H A 13 VAL HGx% 1.0 . 4.43 879 769 A 12 LYS HA A 12 LYS HGx 1.0 . 3.47 880 769 A 12 LYS HA A 12 LYS HGy 1.0 . 3.47 881 770 A 12 LYS HA A 22 VAL HGy% 1.0 . 3.79 882 770 A 12 LYS HA A 22 VAL HGx% 1.0 . 3.79 883 771 A 12 LYS HBy A 12 LYS HEx 1.0 . 4.19 884 771 A 12 LYS HBx A 12 LYS HEx 1.0 . 4.19 885 771 A 12 LYS HEy A 12 LYS HBy 1.0 . 4.19 886 771 A 12 LYS HBx A 12 LYS HEy 1.0 . 4.19 887 772 A 13 VAL H A 12 LYS HBy 1.0 . 4.38 888 772 A 13 VAL H A 12 LYS HBx 1.0 . 4.38 889 773 A 65 ALA HB% A 12 LYS HBy 1.0 . 3.23 890 773 A 65 ALA HB% A 12 LYS HBx 1.0 . 3.23 891 774 A 12 LYS HEx A 12 LYS HGx 1.0 . 3.43 892 774 A 12 LYS HEy A 12 LYS HGx 1.0 . 3.43 893 774 A 12 LYS HGy A 12 LYS HEx 1.0 . 3.43 894 774 A 12 LYS HGy A 12 LYS HEy 1.0 . 3.43 895 775 A 13 VAL H A 12 LYS HGx 1.0 . 3.98 896 775 A 13 VAL H A 12 LYS HGy 1.0 . 3.98 897 776 A 12 LYS HGx A 20 VAL HGy% 1.0 . 5.28 898 776 A 12 LYS HGy A 20 VAL HGy% 1.0 . 5.28 899 776 A 20 VAL HGx% A 12 LYS HGx 1.0 . 5.28 900 776 A 12 LYS HGy A 20 VAL HGx% 1.0 . 5.28 901 777 A 22 VAL HA A 12 LYS HGx 1.0 . 5.34 902 777 A 22 VAL HA A 12 LYS HGy 1.0 . 5.34 903 778 A 12 LYS HGx A 22 VAL HGy% 1.0 . 3.77 904 778 A 12 LYS HGy A 22 VAL HGy% 1.0 . 3.77 905 778 A 22 VAL HGx% A 12 LYS HGx 1.0 . 3.77 906 778 A 22 VAL HGx% A 12 LYS HGy 1.0 . 3.77 907 779 A 65 ALA HB% A 12 LYS HGx 1.0 . 4.49 908 779 A 65 ALA HB% A 12 LYS HGy 1.0 . 4.49 909 780 A 12 LYS HEy A 20 VAL HGy% 1.0 . 4.33 910 780 A 20 VAL HGx% A 12 LYS HEx 1.0 . 4.33 911 780 A 12 LYS HEy A 20 VAL HGx% 1.0 . 4.33 912 780 A 12 LYS HEx A 20 VAL HGy% 1.0 . 4.33 913 781 A 12 LYS HEy A 22 VAL HGy% 1.0 . 4.33 914 781 A 12 LYS HEx A 22 VAL HGy% 1.0 . 4.33 915 781 A 22 VAL HGx% A 12 LYS HEx 1.0 . 4.33 916 781 A 22 VAL HGx% A 12 LYS HEy 1.0 . 4.33 917 782 A 13 VAL H A 13 VAL HGy% 1.0 . 3.09 918 782 A 13 VAL H A 13 VAL HGx% 1.0 . 3.09 919 783 A 13 VAL H A 14 VAL HGy% 1.0 . 5.44 920 783 A 13 VAL H A 14 VAL HGx% 1.0 . 5.44 921 784 A 13 VAL HA A 62 LEU HDy% 1.0 . 4.50 922 784 A 13 VAL HA A 62 LEU HDx% 1.0 . 4.50 923 785 A 13 VAL HB A 62 LEU HDy% 1.0 . 3.49 924 785 A 13 VAL HB A 62 LEU HDx% 1.0 . 3.49 925 786 A 14 VAL H A 13 VAL HGy% 1.0 . 3.62 926 786 A 14 VAL H A 13 VAL HGx% 1.0 . 3.62 927 787 A 13 VAL HGx% A 15 LEU HBx 1.0 . 4.35 928 787 A 13 VAL HGy% A 15 LEU HBx 1.0 . 4.35 929 787 A 15 LEU HBy A 13 VAL HGy% 1.0 . 4.35 930 787 A 13 VAL HGx% A 15 LEU HBy 1.0 . 4.35 931 788 A 13 VAL HGx% A 15 LEU HDy% 1.0 . 4.94 932 788 A 13 VAL HGy% A 15 LEU HDy% 1.0 . 4.94 933 788 A 15 LEU HDx% A 13 VAL HGy% 1.0 . 4.94 934 788 A 13 VAL HGx% A 15 LEU HDx% 1.0 . 4.94 935 789 A 21 GLY H A 13 VAL HGy% 1.0 . 4.15 936 789 A 21 GLY H A 13 VAL HGx% 1.0 . 4.15 937 790 A 13 VAL HGy% A 21 GLY HAx 1.0 . 4.11 938 790 A 13 VAL HGx% A 21 GLY HAx 1.0 . 4.11 939 790 A 21 GLY HAy A 13 VAL HGy% 1.0 . 4.11 940 790 A 13 VAL HGx% A 21 GLY HAy 1.0 . 4.11 941 791 A 22 VAL HA A 13 VAL HGy% 1.0 . 3.21 942 791 A 22 VAL HA A 13 VAL HGx% 1.0 . 3.21 943 792 A 23 VAL H A 13 VAL HGy% 1.0 . 4.27 944 792 A 23 VAL H A 13 VAL HGx% 1.0 . 4.27 945 793 A 23 VAL HA A 13 VAL HGy% 1.0 . 4.87 946 793 A 23 VAL HA A 13 VAL HGx% 1.0 . 4.87 947 794 A 23 VAL HGx% A 13 VAL HGy% 1.0 . 4.63 948 794 A 23 VAL HGx% A 13 VAL HGx% 1.0 . 4.63 949 795 A 41 VAL HA A 13 VAL HGy% 1.0 . 5.19 950 795 A 41 VAL HA A 13 VAL HGx% 1.0 . 5.19 951 796 A 41 VAL HGx% A 13 VAL HGy% 1.0 . 3.24 952 796 A 41 VAL HGx% A 13 VAL HGx% 1.0 . 3.24 953 797 A 41 VAL HGy% A 13 VAL HGy% 1.0 . 3.76 954 797 A 41 VAL HGy% A 13 VAL HGx% 1.0 . 3.76 955 798 A 43 PHE HE% A 13 VAL HGy% 1.0 . 4.58 956 798 A 43 PHE HE% A 13 VAL HGx% 1.0 . 4.58 957 799 A 62 LEU HG A 13 VAL HGy% 1.0 . 4.15 958 799 A 62 LEU HG A 13 VAL HGx% 1.0 . 4.15 959 800 A 13 VAL HGy% A 62 LEU HDy% 1.0 . 2.85 960 800 A 13 VAL HGx% A 62 LEU HDy% 1.0 . 2.85 961 800 A 62 LEU HDx% A 13 VAL HGy% 1.0 . 2.85 962 800 A 13 VAL HGx% A 62 LEU HDx% 1.0 . 2.85 963 801 A 64 LYS HA A 13 VAL HGy% 1.0 . 3.53 964 801 A 64 LYS HA A 13 VAL HGx% 1.0 . 3.53 965 802 A 13 VAL HGx% A 64 LYS HEx 1.0 . 4.65 966 802 A 13 VAL HGy% A 64 LYS HEx 1.0 . 4.65 967 802 A 64 LYS HEy A 13 VAL HGy% 1.0 . 4.65 968 802 A 13 VAL HGx% A 64 LYS HEy 1.0 . 4.65 969 803 A 65 ALA H A 13 VAL HGy% 1.0 . 4.34 970 803 A 65 ALA H A 13 VAL HGx% 1.0 . 4.34 971 804 A 14 VAL H A 14 VAL HGy% 1.0 . 3.58 972 804 A 14 VAL H A 14 VAL HGx% 1.0 . 3.58 973 805 A 14 VAL H A 62 LEU HDy% 1.0 . 3.73 974 805 A 14 VAL H A 62 LEU HDx% 1.0 . 3.73 975 806 A 14 VAL HA A 14 VAL HGy% 1.0 . 2.60 976 806 A 14 VAL HA A 14 VAL HGx% 1.0 . 2.60 977 807 A 14 VAL HA A 20 VAL HGy% 1.0 . 4.19 978 807 A 14 VAL HA A 20 VAL HGx% 1.0 . 4.19 979 808 A 15 LEU H A 14 VAL HGy% 1.0 . 3.59 980 808 A 15 LEU H A 14 VAL HGx% 1.0 . 3.59 981 809 A 14 VAL HGy% A 16 PRO HGx 1.0 . 5.28 982 809 A 14 VAL HGx% A 16 PRO HGx 1.0 . 5.28 983 809 A 16 PRO HGy A 14 VAL HGy% 1.0 . 5.28 984 809 A 14 VAL HGx% A 16 PRO HGy 1.0 . 5.28 985 810 A 14 VAL HGy% A 16 PRO HDx 1.0 . 4.01 986 810 A 14 VAL HGx% A 16 PRO HDx 1.0 . 4.01 987 810 A 16 PRO HDy A 14 VAL HGy% 1.0 . 4.01 988 810 A 14 VAL HGx% A 16 PRO HDy 1.0 . 4.01 989 811 A 19 GLY H A 14 VAL HGy% 1.0 . 4.42 990 811 A 19 GLY H A 14 VAL HGx% 1.0 . 4.42 991 812 A 14 VAL HGx% A 19 GLY HAx 1.0 . 3.25 992 812 A 14 VAL HGy% A 19 GLY HAx 1.0 . 3.25 993 812 A 19 GLY HAy A 14 VAL HGy% 1.0 . 3.25 994 812 A 14 VAL HGx% A 19 GLY HAy 1.0 . 3.25 995 813 A 20 VAL HA A 14 VAL HGy% 1.0 . 4.30 996 813 A 20 VAL HA A 14 VAL HGx% 1.0 . 4.30 997 814 A 14 VAL HGx% A 20 VAL HGy% 1.0 . 4.12 998 814 A 20 VAL HGx% A 14 VAL HGy% 1.0 . 4.12 999 814 A 20 VAL HGx% A 14 VAL HGx% 1.0 . 4.12 1000 814 A 14 VAL HGy% A 20 VAL HGy% 1.0 . 4.12 1001 815 A 21 GLY H A 14 VAL HGy% 1.0 . 5.44 1002 815 A 21 GLY H A 14 VAL HGx% 1.0 . 5.44 1003 816 A 65 ALA H A 14 VAL HGy% 1.0 . 5.41 1004 816 A 65 ALA H A 14 VAL HGx% 1.0 . 5.41 1005 817 A 65 ALA HA A 14 VAL HGy% 1.0 . 3.43 1006 817 A 65 ALA HA A 14 VAL HGx% 1.0 . 3.43 1007 818 A 65 ALA HB% A 14 VAL HGy% 1.0 . 3.71 1008 818 A 65 ALA HB% A 14 VAL HGx% 1.0 . 3.71 1009 819 A 66 LEU H A 14 VAL HGy% 1.0 . 5.44 1010 819 A 66 LEU H A 14 VAL HGx% 1.0 . 5.44 1011 820 A 15 LEU H A 15 LEU HDy% 1.0 . 5.44 1012 820 A 15 LEU H A 15 LEU HDx% 1.0 . 5.44 1013 821 A 15 LEU HA A 15 LEU HDy% 1.0 . 3.38 1014 821 A 15 LEU HA A 15 LEU HDx% 1.0 . 3.38 1015 822 A 15 LEU HA A 16 PRO HGx 1.0 . 5.11 1016 822 A 15 LEU HA A 16 PRO HGy 1.0 . 5.11 1017 823 A 15 LEU HA A 16 PRO HDx 1.0 . 3.17 1018 823 A 15 LEU HA A 16 PRO HDy 1.0 . 3.17 1019 824 A 15 LEU HA A 62 LEU HDy% 1.0 . 4.32 1020 824 A 15 LEU HA A 62 LEU HDx% 1.0 . 4.32 1021 825 A 15 LEU HBx A 15 LEU HDy% 1.0 . 2.60 1022 825 A 15 LEU HBy A 15 LEU HDy% 1.0 . 2.60 1023 825 A 15 LEU HDx% A 15 LEU HBx 1.0 . 2.60 1024 825 A 15 LEU HBy A 15 LEU HDx% 1.0 . 2.60 1025 826 A 18 TYR HD% A 15 LEU HBx 1.0 . 4.22 1026 826 A 18 TYR HD% A 15 LEU HBy 1.0 . 4.22 1027 827 A 18 TYR HE% A 15 LEU HBx 1.0 . 5.34 1028 827 A 18 TYR HE% A 15 LEU HBy 1.0 . 5.34 1029 828 A 43 PHE HD% A 15 LEU HBx 1.0 . 4.76 1030 828 A 43 PHE HD% A 15 LEU HBy 1.0 . 4.76 1031 829 A 43 PHE HE% A 15 LEU HBx 1.0 . 3.26 1032 829 A 43 PHE HE% A 15 LEU HBy 1.0 . 3.26 1033 830 A 62 LEU HG A 15 LEU HBx 1.0 . 4.49 1034 830 A 62 LEU HG A 15 LEU HBy 1.0 . 4.49 1035 831 A 15 LEU HBy A 62 LEU HDy% 1.0 . 3.23 1036 831 A 15 LEU HBx A 62 LEU HDy% 1.0 . 3.23 1037 831 A 62 LEU HDx% A 15 LEU HBx 1.0 . 3.23 1038 831 A 62 LEU HDx% A 15 LEU HBy 1.0 . 3.23 1039 832 A 63 ARG H A 15 LEU HBx 1.0 . 4.90 1040 832 A 63 ARG H A 15 LEU HBy 1.0 . 4.90 1041 833 A 15 LEU HDy% A 16 PRO HDx 1.0 . 3.06 1042 833 A 15 LEU HDx% A 16 PRO HDx 1.0 . 3.06 1043 833 A 16 PRO HDy A 15 LEU HDy% 1.0 . 3.06 1044 833 A 15 LEU HDx% A 16 PRO HDy 1.0 . 3.06 1045 834 A 17 PRO HDx A 15 LEU HDy% 1.0 . 4.81 1046 834 A 17 PRO HDx A 15 LEU HDx% 1.0 . 4.81 1047 835 A 18 TYR HD% A 15 LEU HDy% 1.0 . 3.41 1048 835 A 18 TYR HD% A 15 LEU HDx% 1.0 . 3.41 1049 836 A 18 TYR HE% A 15 LEU HDy% 1.0 . 3.70 1050 836 A 18 TYR HE% A 15 LEU HDx% 1.0 . 3.70 1051 837 A 41 VAL HGx% A 15 LEU HDy% 1.0 . 4.18 1052 837 A 41 VAL HGx% A 15 LEU HDx% 1.0 . 4.18 1053 838 A 41 VAL HGy% A 15 LEU HDy% 1.0 . 3.55 1054 838 A 41 VAL HGy% A 15 LEU HDx% 1.0 . 3.55 1055 839 A 43 PHE HD% A 15 LEU HDy% 1.0 . 4.75 1056 839 A 43 PHE HD% A 15 LEU HDx% 1.0 . 4.75 1057 840 A 43 PHE HZ A 15 LEU HDy% 1.0 . 2.96 1058 840 A 43 PHE HZ A 15 LEU HDx% 1.0 . 2.96 1059 841 A 50 ALA HB% A 15 LEU HDy% 1.0 . 3.27 1060 841 A 50 ALA HB% A 15 LEU HDx% 1.0 . 3.27 1061 842 A 52 VAL HGy% A 15 LEU HDy% 1.0 . 3.98 1062 842 A 52 VAL HGy% A 15 LEU HDx% 1.0 . 3.98 1063 843 A 60 VAL HB A 15 LEU HDy% 1.0 . 5.44 1064 843 A 15 LEU HDx% A 60 VAL HB 1.0 . 5.44 1065 844 A 15 LEU HDx% A 60 VAL HGy% 1.0 . 5.37 1066 844 A 15 LEU HDy% A 60 VAL HGy% 1.0 . 5.37 1067 844 A 60 VAL HGx% A 15 LEU HDy% 1.0 . 5.37 1068 844 A 15 LEU HDx% A 60 VAL HGx% 1.0 . 5.37 1069 845 A 62 LEU H A 15 LEU HDy% 1.0 . 4.80 1070 845 A 62 LEU H A 15 LEU HDx% 1.0 . 4.80 1071 846 A 62 LEU HA A 15 LEU HDy% 1.0 . 3.70 1072 846 A 62 LEU HA A 15 LEU HDx% 1.0 . 3.70 1073 847 A 15 LEU HDy% A 62 LEU HBx 1.0 . 5.28 1074 847 A 15 LEU HDx% A 62 LEU HBx 1.0 . 5.28 1075 847 A 62 LEU HBy A 15 LEU HDy% 1.0 . 5.28 1076 847 A 62 LEU HBy A 15 LEU HDx% 1.0 . 5.28 1077 848 A 62 LEU HG A 15 LEU HDy% 1.0 . 4.42 1078 848 A 62 LEU HG A 15 LEU HDx% 1.0 . 4.42 1079 849 A 15 LEU HDy% A 62 LEU HDy% 1.0 . 4.25 1080 849 A 15 LEU HDx% A 62 LEU HDy% 1.0 . 4.25 1081 849 A 62 LEU HDx% A 15 LEU HDy% 1.0 . 4.25 1082 849 A 62 LEU HDx% A 15 LEU HDx% 1.0 . 4.25 1083 850 A 16 PRO HA A 17 PRO HBx 1.0 . 4.49 1084 850 A 16 PRO HA A 17 PRO HBy 1.0 . 4.49 1085 851 A 17 PRO HA A 16 PRO HBy 1.0 . 3.68 1086 851 A 17 PRO HA A 16 PRO HBx 1.0 . 3.68 1087 852 A 18 TYR H A 17 PRO HGx 1.0 . 5.03 1088 852 A 18 TYR H A 17 PRO HGy 1.0 . 5.03 1089 853 A 20 VAL HB A 19 GLY HAx 1.0 . 4.80 1090 853 A 20 VAL HB A 19 GLY HAy 1.0 . 4.80 1091 854 A 19 GLY HAy A 20 VAL HGy% 1.0 . 4.29 1092 854 A 19 GLY HAx A 20 VAL HGy% 1.0 . 4.29 1093 854 A 20 VAL HGx% A 19 GLY HAx 1.0 . 4.29 1094 854 A 20 VAL HGx% A 19 GLY HAy 1.0 . 4.29 1095 855 A 20 VAL H A 20 VAL HGy% 1.0 . 3.34 1096 855 A 20 VAL H A 20 VAL HGx% 1.0 . 3.34 1097 856 A 21 GLY H A 20 VAL HGy% 1.0 . 3.63 1098 856 A 21 GLY H A 20 VAL HGx% 1.0 . 3.63 1099 857 A 41 VAL HGx% A 21 GLY HAx 1.0 . 3.26 1100 857 A 41 VAL HGx% A 21 GLY HAy 1.0 . 3.26 1101 858 A 42 ASP H A 21 GLY HAx 1.0 . 5.14 1102 858 A 42 ASP H A 21 GLY HAy 1.0 . 5.14 1103 859 A 43 PHE HA A 21 GLY HAx 1.0 . 3.63 1104 859 A 43 PHE HA A 21 GLY HAy 1.0 . 3.63 1105 860 A 43 PHE HD% A 21 GLY HAx 1.0 . 3.26 1106 860 A 43 PHE HD% A 21 GLY HAy 1.0 . 3.26 1107 861 A 43 PHE HE% A 21 GLY HAx 1.0 . 3.59 1108 861 A 43 PHE HE% A 21 GLY HAy 1.0 . 3.59 1109 862 A 22 VAL H A 22 VAL HGy% 1.0 . 3.49 1110 862 A 22 VAL H A 22 VAL HGx% 1.0 . 3.49 1111 863 A 22 VAL HA A 22 VAL HGy% 1.0 . 2.93 1112 863 A 22 VAL HA A 22 VAL HGx% 1.0 . 2.93 1113 864 A 23 VAL H A 22 VAL HGy% 1.0 . 3.46 1114 864 A 23 VAL H A 22 VAL HGx% 1.0 . 3.46 1115 865 A 24 ALA HA A 22 VAL HGy% 1.0 . 4.50 1116 865 A 22 VAL HGx% A 24 ALA HA 1.0 . 4.50 1117 866 A 24 ALA HB% A 22 VAL HGy% 1.0 . 4.36 1118 866 A 24 ALA HB% A 22 VAL HGx% 1.0 . 4.36 1119 867 A 41 VAL HA A 22 VAL HGy% 1.0 . 5.44 1120 867 A 41 VAL HA A 22 VAL HGx% 1.0 . 5.44 1121 868 A 42 ASP H A 22 VAL HGy% 1.0 . 3.89 1122 868 A 42 ASP H A 22 VAL HGx% 1.0 . 3.89 1123 869 A 22 VAL HGx% A 42 ASP HBy 1.0 . 3.68 1124 869 A 22 VAL HGy% A 42 ASP HBy 1.0 . 3.68 1125 869 A 42 ASP HBx A 22 VAL HGy% 1.0 . 3.68 1126 869 A 22 VAL HGx% A 42 ASP HBx 1.0 . 3.68 1127 870 A 23 VAL HGx% A 25 GLY HAx 1.0 . 4.32 1128 870 A 23 VAL HGx% A 25 GLY HAy 1.0 . 4.32 1129 871 A 23 VAL HGy% A 62 LEU HDy% 1.0 . 3.38 1130 871 A 23 VAL HGy% A 62 LEU HDx% 1.0 . 3.38 1131 872 A 24 ALA H A 40 GLN HGx 1.0 . 5.34 1132 872 A 24 ALA H A 40 GLN HGy 1.0 . 5.34 1133 873 A 24 ALA HB% A 40 GLN HBy 1.0 . 3.27 1134 873 A 24 ALA HB% A 40 GLN HBx 1.0 . 3.27 1135 874 A 25 GLY H A 40 GLN HBy 1.0 . 3.58 1136 874 A 25 GLY H A 40 GLN HBx 1.0 . 3.58 1137 875 A 25 GLY H A 40 GLN HGx 1.0 . 4.75 1138 875 A 25 GLY H A 40 GLN HGy 1.0 . 4.75 1139 876 A 26 ILE H A 26 ILE HG1y 1.0 . 3.98 1140 876 A 26 ILE H A 26 ILE HG1x 1.0 . 3.98 1141 877 A 26 ILE HA A 26 ILE HG1y 1.0 . 3.42 1142 877 A 26 ILE HA A 26 ILE HG1x 1.0 . 3.42 1143 878 A 27 ALA H A 26 ILE HG1y 1.0 . 5.08 1144 878 A 27 ALA H A 26 ILE HG1x 1.0 . 5.08 1145 879 A 26 ILE HG1y A 28 GLN HGx 1.0 . 5.34 1146 879 A 26 ILE HG1x A 28 GLN HGx 1.0 . 5.34 1147 879 A 28 GLN HGy A 26 ILE HG1y 1.0 . 5.34 1148 879 A 28 GLN HGy A 26 ILE HG1x 1.0 . 5.34 1149 880 A 37 ALA HB% A 26 ILE HG1y 1.0 . 4.41 1150 880 A 37 ALA HB% A 26 ILE HG1x 1.0 . 4.41 1151 881 A 39 TYR HA A 26 ILE HG1y 1.0 . 5.34 1152 881 A 39 TYR HA A 26 ILE HG1x 1.0 . 5.34 1153 882 A 39 TYR HE% A 26 ILE HG1y 1.0 . 3.03 1154 882 A 39 TYR HE% A 26 ILE HG1x 1.0 . 3.03 1155 883 A 54 VAL HGx% A 26 ILE HG1y 1.0 . 3.41 1156 883 A 54 VAL HGx% A 26 ILE HG1x 1.0 . 3.41 1157 884 A 27 ALA HB% A 40 GLN HBy 1.0 . 3.94 1158 884 A 27 ALA HB% A 40 GLN HBx 1.0 . 3.94 1159 885 A 29 ARG H A 29 ARG HBy 1.0 . 2.63 1160 885 A 29 ARG H A 29 ARG HBx 1.0 . 2.63 1161 886 A 29 ARG H A 29 ARG HGy 1.0 . 4.21 1162 886 A 29 ARG H A 29 ARG HGx 1.0 . 4.21 1163 887 A 29 ARG HA A 29 ARG HGy 1.0 . 3.08 1164 887 A 29 ARG HA A 29 ARG HGx 1.0 . 3.08 1165 888 A 38 TYR HD% A 29 ARG HBy 1.0 . 3.64 1166 888 A 38 TYR HD% A 29 ARG HBx 1.0 . 3.64 1167 889 A 38 TYR HE% A 29 ARG HBy 1.0 . 3.62 1168 889 A 38 TYR HE% A 29 ARG HBx 1.0 . 3.62 1169 890 A 38 TYR HD% A 29 ARG HGy 1.0 . 4.28 1170 890 A 38 TYR HD% A 29 ARG HGx 1.0 . 4.28 1171 891 A 38 TYR HE% A 29 ARG HGy 1.0 . 4.69 1172 891 A 38 TYR HE% A 29 ARG HGx 1.0 . 4.69 1173 892 A 51 TYR HD% A 29 ARG HGy 1.0 . 5.34 1174 892 A 51 TYR HD% A 29 ARG HGx 1.0 . 5.34 1175 893 A 38 TYR HD% A 29 ARG HDx 1.0 . 5.34 1176 893 A 38 TYR HD% A 29 ARG HDy 1.0 . 5.34 1177 894 A 51 TYR HD% A 29 ARG HDx 1.0 . 5.34 1178 894 A 51 TYR HD% A 29 ARG HDy 1.0 . 5.34 1179 895 A 51 TYR HE% A 29 ARG HDx 1.0 . 4.53 1180 895 A 51 TYR HE% A 29 ARG HDy 1.0 . 4.53 1181 896 A 31 VAL H A 30 SER HBx 1.0 . 3.79 1182 896 A 31 VAL H A 30 SER HBy 1.0 . 3.79 1183 897 A 35 SER HA A 30 SER HBx 1.0 . 4.70 1184 897 A 35 SER HA A 30 SER HBy 1.0 . 4.70 1185 898 A 31 VAL H A 31 VAL HGy% 1.0 . 4.11 1186 898 A 31 VAL H A 31 VAL HGx% 1.0 . 4.11 1187 899 A 31 VAL HA A 31 VAL HGy% 1.0 . 2.62 1188 899 A 31 VAL HA A 31 VAL HGx% 1.0 . 2.62 1189 900 A 33 GLY H A 31 VAL HGy% 1.0 . 5.44 1190 900 A 33 GLY H A 31 VAL HGx% 1.0 . 5.44 1191 901 A 36 ARG HGy A 31 VAL HGy% 1.0 . 4.76 1192 901 A 36 ARG HGy A 31 VAL HGx% 1.0 . 4.76 1193 902 A 31 VAL HGx% A 36 ARG HDx 1.0 . 4.63 1194 902 A 31 VAL HGy% A 36 ARG HDx 1.0 . 4.63 1195 902 A 36 ARG HDy A 31 VAL HGy% 1.0 . 4.63 1196 902 A 36 ARG HDy A 31 VAL HGx% 1.0 . 4.63 1197 903 A 38 TYR HD% A 31 VAL HGy% 1.0 . 5.44 1198 903 A 38 TYR HD% A 31 VAL HGx% 1.0 . 5.44 1199 904 A 38 TYR HE% A 31 VAL HGy% 1.0 . 4.21 1200 904 A 38 TYR HE% A 31 VAL HGx% 1.0 . 4.21 1201 905 A 32 SER HBy A 34 VAL HGx% 1.0 . 2.76 1202 905 A 34 VAL HGy% A 32 SER HBx 1.0 . 2.76 1203 905 A 34 VAL HGy% A 32 SER HBy 1.0 . 2.76 1204 905 A 32 SER HBx A 34 VAL HGx% 1.0 . 2.76 1205 906 A 36 ARG H A 35 SER HBy 1.0 . 3.96 1206 906 A 36 ARG H A 35 SER HBx 1.0 . 3.96 1207 907 A 36 ARG H A 36 ARG HBy 1.0 . 3.66 1208 907 A 36 ARG H A 36 ARG HBx 1.0 . 3.66 1209 908 A 36 ARG HBx A 36 ARG HDx 1.0 . 2.60 1210 908 A 36 ARG HBy A 36 ARG HDx 1.0 . 2.60 1211 908 A 36 ARG HDy A 36 ARG HBy 1.0 . 2.60 1212 908 A 36 ARG HDy A 36 ARG HBx 1.0 . 2.60 1213 909 A 37 ALA H A 36 ARG HBy 1.0 . 4.11 1214 909 A 37 ALA H A 36 ARG HBx 1.0 . 4.11 1215 910 A 38 TYR HD% A 36 ARG HBy 1.0 . 4.18 1216 910 A 38 TYR HD% A 36 ARG HBx 1.0 . 4.18 1217 911 A 38 TYR HE% A 36 ARG HBy 1.0 . 3.61 1218 911 A 38 TYR HE% A 36 ARG HBx 1.0 . 3.61 1219 912 A 38 TYR HD% A 53 PRO HGx 1.0 . 4.81 1220 912 A 38 TYR HD% A 53 PRO HGy 1.0 . 4.81 1221 913 A 38 TYR HE% A 53 PRO HGx 1.0 . 4.21 1222 913 A 38 TYR HE% A 53 PRO HGy 1.0 . 4.21 1223 914 A 39 TYR HD% A 57 PRO HGx 1.0 . 5.32 1224 914 A 39 TYR HD% A 57 PRO HGy 1.0 . 5.32 1225 915 A 39 TYR HD% A 62 LEU HDy% 1.0 . 3.95 1226 915 A 39 TYR HD% A 62 LEU HDx% 1.0 . 3.95 1227 916 A 39 TYR HE% A 57 PRO HGx 1.0 . 4.21 1228 916 A 39 TYR HE% A 57 PRO HGy 1.0 . 4.21 1229 917 A 39 TYR HE% A 57 PRO HDx 1.0 . 4.31 1230 917 A 39 TYR HE% A 57 PRO HDy 1.0 . 4.31 1231 918 A 39 TYR HE% A 62 LEU HDy% 1.0 . 4.84 1232 918 A 39 TYR HE% A 62 LEU HDx% 1.0 . 4.84 1233 919 A 40 GLN H A 40 GLN HBy 1.0 . 3.26 1234 919 A 40 GLN H A 40 GLN HBx 1.0 . 3.26 1235 920 A 40 GLN HA A 40 GLN HGx 1.0 . 3.32 1236 920 A 40 GLN HA A 40 GLN HGy 1.0 . 3.32 1237 921 A 40 GLN HE2x A 40 GLN HBy 1.0 . 4.56 1238 921 A 40 GLN HE2x A 40 GLN HBx 1.0 . 4.56 1239 922 A 51 TYR HE% A 40 GLN HBy 1.0 . 3.51 1240 922 A 51 TYR HE% A 40 GLN HBx 1.0 . 3.51 1241 923 A 40 GLN HE2x A 40 GLN HGx 1.0 . 2.81 1242 923 A 40 GLN HE2x A 40 GLN HGy 1.0 . 2.81 1243 924 A 51 TYR HD% A 40 GLN HGx 1.0 . 4.26 1244 924 A 51 TYR HD% A 40 GLN HGy 1.0 . 4.26 1245 925 A 51 TYR HE% A 40 GLN HGx 1.0 . 3.62 1246 925 A 51 TYR HE% A 40 GLN HGy 1.0 . 3.62 1247 926 A 41 VAL HGx% A 62 LEU HDy% 1.0 . 4.33 1248 926 A 41 VAL HGx% A 62 LEU HDx% 1.0 . 4.33 1249 927 A 41 VAL HGy% A 62 LEU HDy% 1.0 . 4.17 1250 927 A 41 VAL HGy% A 62 LEU HDx% 1.0 . 4.17 1251 928 A 42 ASP H A 42 ASP HBy 1.0 . 3.15 1252 928 A 42 ASP H A 42 ASP HBx 1.0 . 3.15 1253 929 A 43 PHE HA A 44 PRO HGx 1.0 . 4.38 1254 929 A 43 PHE HA A 44 PRO HGy 1.0 . 4.38 1255 930 A 43 PHE HBx A 44 PRO HDx 1.0 . 4.25 1256 930 A 43 PHE HBx A 44 PRO HDy 1.0 . 4.25 1257 931 A 43 PHE HD% A 44 PRO HDx 1.0 . 4.68 1258 931 A 43 PHE HD% A 44 PRO HDy 1.0 . 4.68 1259 932 A 47 ARG HBy A 47 ARG HDx 1.0 . 2.91 1260 932 A 47 ARG HBx A 47 ARG HDx 1.0 . 2.91 1261 932 A 47 ARG HDy A 47 ARG HBy 1.0 . 2.91 1262 932 A 47 ARG HDy A 47 ARG HBx 1.0 . 2.91 1263 933 A 49 LYS HA A 49 LYS HGx 1.0 . 3.74 1264 933 A 49 LYS HA A 49 LYS HGy 1.0 . 3.74 1265 934 A 49 LYS HEy A 49 LYS HGx 1.0 . 2.60 1266 934 A 49 LYS HEx A 49 LYS HGx 1.0 . 2.60 1267 934 A 49 LYS HGy A 49 LYS HEx 1.0 . 2.60 1268 934 A 49 LYS HEy A 49 LYS HGy 1.0 . 2.60 1269 935 A 50 ALA H A 49 LYS HGx 1.0 . 4.84 1270 935 A 50 ALA H A 49 LYS HGy 1.0 . 4.84 1271 936 A 52 VAL HA A 53 PRO HGx 1.0 . 4.63 1272 936 A 52 VAL HA A 53 PRO HGy 1.0 . 4.63 1273 937 A 52 VAL HA A 60 VAL HGy% 1.0 . 3.87 1274 937 A 52 VAL HA A 60 VAL HGx% 1.0 . 3.87 1275 938 A 52 VAL HB A 62 LEU HDy% 1.0 . 3.91 1276 938 A 52 VAL HB A 62 LEU HDx% 1.0 . 3.91 1277 939 A 52 VAL HGx% A 57 PRO HGx 1.0 . 4.70 1278 939 A 52 VAL HGx% A 57 PRO HGy 1.0 . 4.70 1279 940 A 52 VAL HGx% A 60 VAL HGy% 1.0 . 5.44 1280 940 A 52 VAL HGx% A 60 VAL HGx% 1.0 . 5.44 1281 941 A 52 VAL HGx% A 62 LEU HDy% 1.0 . 3.47 1282 941 A 52 VAL HGx% A 62 LEU HDx% 1.0 . 3.47 1283 942 A 52 VAL HGy% A 62 LEU HBx 1.0 . 3.84 1284 942 A 52 VAL HGy% A 62 LEU HBy 1.0 . 3.84 1285 943 A 52 VAL HGy% A 62 LEU HDy% 1.0 . 3.36 1286 943 A 52 VAL HGy% A 62 LEU HDx% 1.0 . 3.36 1287 944 A 56 ALA H A 53 PRO HGx 1.0 . 4.20 1288 944 A 56 ALA H A 53 PRO HGy 1.0 . 4.20 1289 945 A 56 ALA HB% A 53 PRO HGx 1.0 . 4.24 1290 945 A 56 ALA HB% A 53 PRO HGy 1.0 . 4.24 1291 946 A 53 PRO HDx A 60 VAL HGy% 1.0 . 3.46 1292 946 A 53 PRO HDx A 60 VAL HGx% 1.0 . 3.46 1293 947 A 53 PRO HDy A 60 VAL HGy% 1.0 . 3.63 1294 947 A 53 PRO HDy A 60 VAL HGx% 1.0 . 3.63 1295 948 A 55 GLU HGx A 57 PRO HDx 1.0 . 5.35 1296 948 A 55 GLU HGy A 57 PRO HDx 1.0 . 5.35 1297 948 A 57 PRO HDy A 55 GLU HGx 1.0 . 5.35 1298 948 A 55 GLU HGy A 57 PRO HDy 1.0 . 5.35 1299 949 A 56 ALA H A 57 PRO HDx 1.0 . 3.85 1300 949 A 56 ALA H A 57 PRO HDy 1.0 . 3.85 1301 950 A 57 PRO HA A 60 VAL HGy% 1.0 . 4.22 1302 950 A 57 PRO HA A 60 VAL HGx% 1.0 . 4.22 1303 951 A 57 PRO HA A 62 LEU HDy% 1.0 . 4.63 1304 951 A 57 PRO HA A 62 LEU HDx% 1.0 . 4.63 1305 952 A 57 PRO HBx A 62 LEU HDy% 1.0 . 4.18 1306 952 A 57 PRO HBx A 62 LEU HDx% 1.0 . 4.18 1307 953 A 58 HIS HA A 62 LEU HDy% 1.0 . 5.19 1308 953 A 58 HIS HA A 62 LEU HDx% 1.0 . 5.19 1309 954 A 60 VAL H A 60 VAL HGy% 1.0 . 3.26 1310 954 A 60 VAL H A 60 VAL HGx% 1.0 . 3.26 1311 955 A 61 GLY H A 60 VAL HGy% 1.0 . 4.18 1312 955 A 61 GLY H A 60 VAL HGx% 1.0 . 4.18 1313 956 A 62 LEU H A 60 VAL HGy% 1.0 . 2.82 1314 956 A 62 LEU H A 60 VAL HGx% 1.0 . 2.82 1315 957 A 62 LEU HA A 60 VAL HGy% 1.0 . 3.78 1316 957 A 62 LEU HA A 60 VAL HGx% 1.0 . 3.78 1317 958 A 60 VAL HGy% A 62 LEU HBx 1.0 . 5.28 1318 958 A 60 VAL HGx% A 62 LEU HBx 1.0 . 5.28 1319 958 A 62 LEU HBy A 60 VAL HGy% 1.0 . 5.28 1320 958 A 62 LEU HBy A 60 VAL HGx% 1.0 . 5.28 1321 959 A 61 GLY H A 61 GLY HAx 1.0 . 2.56 1322 959 A 61 GLY H A 61 GLY HAy 1.0 . 2.56 1323 960 A 62 LEU H A 62 LEU HBx 1.0 . 3.24 1324 960 A 62 LEU H A 62 LEU HBy 1.0 . 3.24 1325 961 A 62 LEU H A 62 LEU HDy% 1.0 . 4.28 1326 961 A 62 LEU H A 62 LEU HDx% 1.0 . 4.28 1327 962 A 62 LEU HA A 62 LEU HDy% 1.0 . 3.28 1328 962 A 62 LEU HA A 62 LEU HDx% 1.0 . 3.28 1329 963 A 62 LEU HBy A 62 LEU HDy% 1.0 . 2.73 1330 963 A 62 LEU HBx A 62 LEU HDy% 1.0 . 2.73 1331 963 A 62 LEU HDx% A 62 LEU HBx 1.0 . 2.73 1332 963 A 62 LEU HBy A 62 LEU HDx% 1.0 . 2.73 1333 964 A 63 ARG H A 62 LEU HDy% 1.0 . 3.72 1334 964 A 63 ARG H A 62 LEU HDx% 1.0 . 3.72 1335 965 A 63 ARG H A 63 ARG HGx 1.0 . 3.57 1336 965 A 63 ARG H A 63 ARG HGy 1.0 . 3.57 1337 966 A 63 ARG HA A 63 ARG HDy 1.0 . 4.83 1338 966 A 63 ARG HA A 63 ARG HDx 1.0 . 4.83 1339 967 A 63 ARG HBx A 63 ARG HDy 1.0 . 3.20 1340 967 A 63 ARG HBy A 63 ARG HDy 1.0 . 3.20 1341 967 A 63 ARG HDx A 63 ARG HBx 1.0 . 3.20 1342 967 A 63 ARG HBy A 63 ARG HDx 1.0 . 3.20 1343 968 A 64 LYS H A 63 ARG HBx 1.0 . 4.07 1344 968 A 64 LYS H A 63 ARG HBy 1.0 . 4.07 1345 969 A 64 LYS H A 63 ARG HGx 1.0 . 5.04 1346 969 A 64 LYS H A 63 ARG HGy 1.0 . 5.04 1347 970 A 64 LYS H A 64 LYS HBy 1.0 . 3.53 1348 970 A 64 LYS H A 64 LYS HBx 1.0 . 3.53 1349 971 A 64 LYS H A 64 LYS HGx 1.0 . 5.34 1350 971 A 64 LYS H A 64 LYS HGy 1.0 . 5.34 1351 972 A 64 LYS HA A 64 LYS HGx 1.0 . 2.86 1352 972 A 64 LYS HA A 64 LYS HGy 1.0 . 2.86 1353 973 A 64 LYS HEx A 64 LYS HGx 1.0 . 3.24 1354 973 A 64 LYS HEy A 64 LYS HGx 1.0 . 3.24 1355 973 A 64 LYS HGy A 64 LYS HEx 1.0 . 3.24 1356 973 A 64 LYS HGy A 64 LYS HEy 1.0 . 3.24 1357 974 A 65 ALA H A 64 LYS HGx 1.0 . 5.34 1358 974 A 65 ALA H A 64 LYS HGy 1.0 . 5.34 1359 975 A 66 LEU H A 66 LEU HDy% 1.0 . 5.44 1360 975 A 66 LEU H A 66 LEU HDx% 1.0 . 5.44 1361 976 A 66 LEU HA A 66 LEU HDy% 1.0 . 3.33 1362 976 A 66 LEU HA A 66 LEU HDx% 1.0 . 3.33 1363 977 A 66 LEU HBx A 66 LEU HDy% 1.0 . 2.51 1364 977 A 66 LEU HBy A 66 LEU HDy% 1.0 . 2.51 1365 977 A 66 LEU HDx% A 66 LEU HBx 1.0 . 2.51 1366 977 A 66 LEU HBy A 66 LEU HDx% 1.0 . 2.51 1367 978 A 67 ALA H A 68 PRO HDx 1.0 . 4.60 1368 978 A 67 ALA H A 68 PRO HDy 1.0 . 4.60 1369 979 A 67 ALA HB% A 68 PRO HDx 1.0 . 3.36 1370 979 A 67 ALA HB% A 68 PRO HDy 1.0 . 3.36 1371 980 A 69 GLU H A 68 PRO HDx 1.0 . 4.96 1372 980 A 69 GLU H A 68 PRO HDy 1.0 . 4.96 1373 981 A 70 GLU H A 70 GLU HBx 1.0 . 3.59 1374 981 A 70 GLU H A 70 GLU HBy 1.0 . 3.59 1375 982 A 70 GLU H A 70 GLU HGx 1.0 . 4.01 1376 982 A 70 GLU H A 70 GLU HGy 1.0 . 4.01 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 GLY C A 3 HIS N A 3 HIS CA A 3 HIS C 1.0 -190.0 -20.0 PHI 2 2 A 3 HIS C A 4 MET N A 4 MET CA A 4 MET C 1.0 -190.0 -20.0 PHI 3 3 A 4 MET C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -180.1 -23.9 PHI 4 4 A 5 LYS C A 6 GLU N A 6 GLU CA A 6 GLU C 1.0 -152.1 -22.1 PHI 5 5 A 6 GLU C A 7 PHE N A 7 PHE CA A 7 PHE C 1.0 -151.5 -83.0 PHI 6 6 A 7 PHE N A 7 PHE CA A 7 PHE C A 8 ARG N 1.0 113.4 176.2 PSI 7 7 A 7 PHE C A 8 ARG N A 8 ARG CA A 8 ARG C 1.0 -139.4 -48.5 PHI 8 8 A 8 ARG N A 8 ARG CA A 8 ARG C A 9 PRO N 1.0 82.1 166.3 PSI 9 9 A 9 PRO C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 84.8 104.8 PHI 10 10 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 ASP N 1.0 -30.5 10.3 PSI 11 11 A 10 GLY C A 11 ASP N A 11 ASP CA A 11 ASP C 1.0 -96.3 -52.2 PHI 12 12 A 11 ASP N A 11 ASP CA A 11 ASP C A 12 LYS N 1.0 129.3 154.1 PSI 13 13 A 11 ASP C A 12 LYS N A 12 LYS CA A 12 LYS C 1.0 -118.0 -65.3 PHI 14 14 A 12 LYS N A 12 LYS CA A 12 LYS C A 13 VAL N 1.0 104.2 176.0 PSI 15 15 A 12 LYS C A 13 VAL N A 13 VAL CA A 13 VAL C 1.0 -150.4 -117.7 PHI 16 16 A 13 VAL N A 13 VAL CA A 13 VAL C A 14 VAL N 1.0 151.2 181.3 PSI 17 17 A 13 VAL C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -171.0 -87.0 PHI 18 18 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 LEU N 1.0 98.2 174.3 PSI 19 19 A 14 VAL C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -156.7 -85.6 PHI 20 20 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 PRO N 1.0 76.4 189.7 PSI 21 21 A 18 TYR C A 19 GLY N A 19 GLY CA A 19 GLY C 1.0 56.4 100.2 PHI 22 22 A 19 GLY N A 19 GLY CA A 19 GLY C A 20 VAL N 1.0 -30.4 36.1 PSI 23 23 A 19 GLY C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -145.4 -48.8 PHI 24 24 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 GLY N 1.0 122.9 149.9 PSI 25 25 A 21 GLY C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -160.3 -88.3 PHI 26 26 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 VAL N 1.0 113.7 158.1 PSI 27 27 A 22 VAL C A 23 VAL N A 23 VAL CA A 23 VAL C 1.0 -90.7 -53.0 PHI 28 28 A 23 VAL N A 23 VAL CA A 23 VAL C A 24 ALA N 1.0 110.8 146.0 PSI 29 29 A 23 VAL C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -121.5 -69.7 PHI 30 30 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 GLY N 1.0 -59.1 -10.1 PSI 31 31 A 24 ALA C A 25 GLY N A 25 GLY CA A 25 GLY C 1.0 -203.9 -90.5 PHI 32 32 A 25 GLY N A 25 GLY CA A 25 GLY C A 26 ILE N 1.0 132.2 171.3 PSI 33 33 A 25 GLY C A 26 ILE N A 26 ILE CA A 26 ILE C 1.0 -144.6 -83.7 PHI 34 34 A 26 ILE N A 26 ILE CA A 26 ILE C A 27 ALA N 1.0 104.5 155.0 PSI 35 35 A 26 ILE C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -146.2 -95.9 PHI 36 36 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 GLN N 1.0 115.7 174.7 PSI 37 37 A 27 ALA C A 28 GLN N A 28 GLN CA A 28 GLN C 1.0 -131.4 -76.0 PHI 38 38 A 28 GLN N A 28 GLN CA A 28 GLN C A 29 ARG N 1.0 112.8 146.8 PSI 39 39 A 28 GLN C A 29 ARG N A 29 ARG CA A 29 ARG C 1.0 -172.6 -61.7 PHI 40 40 A 29 ARG N A 29 ARG CA A 29 ARG C A 30 SER N 1.0 106.1 185.4 PSI 41 41 A 29 ARG C A 30 SER N A 30 SER CA A 30 SER C 1.0 -131.5 -63.4 PHI 42 42 A 30 SER N A 30 SER CA A 30 SER C A 31 VAL N 1.0 96.1 158.0 PSI 43 43 A 30 SER C A 31 VAL N A 31 VAL CA A 31 VAL C 1.0 -158.5 -77.1 PHI 44 44 A 31 VAL N A 31 VAL CA A 31 VAL C A 32 SER N 1.0 95.6 160.3 PSI 45 45 A 31 VAL C A 32 SER N A 32 SER CA A 32 SER C 1.0 41.5 61.5 PHI 46 46 A 32 SER N A 32 SER CA A 32 SER C A 33 GLY N 1.0 25.4 58.4 PSI 47 47 A 32 SER C A 33 GLY N A 33 GLY CA A 33 GLY C 1.0 62.6 96.6 PHI 48 48 A 33 GLY N A 33 GLY CA A 33 GLY C A 34 VAL N 1.0 -26.4 29.3 PSI 49 49 A 33 GLY C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -138.5 -66.9 PHI 50 50 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 SER N 1.0 108.5 160.2 PSI 51 51 A 34 VAL C A 35 SER N A 35 SER CA A 35 SER C 1.0 -144.9 -59.2 PHI 52 52 A 35 SER N A 35 SER CA A 35 SER C A 36 ARG N 1.0 119.9 144.7 PSI 53 53 A 35 SER C A 36 ARG N A 36 ARG CA A 36 ARG C 1.0 -165.1 -94.3 PHI 54 54 A 36 ARG N A 36 ARG CA A 36 ARG C A 37 ALA N 1.0 134.1 181.1 PSI 55 55 A 36 ARG C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -138.8 -70.2 PHI 56 56 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 TYR N 1.0 116.8 159.3 PSI 57 57 A 37 ALA C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -149.4 -77.1 PHI 58 58 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 TYR N 1.0 107.7 182.3 PSI 59 59 A 38 TYR C A 39 TYR N A 39 TYR CA A 39 TYR C 1.0 -130.4 -62.5 PHI 60 60 A 39 TYR N A 39 TYR CA A 39 TYR C A 40 GLN N 1.0 99.2 143.4 PSI 61 61 A 39 TYR C A 40 GLN N A 40 GLN CA A 40 GLN C 1.0 -152.7 -55.7 PHI 62 62 A 40 GLN N A 40 GLN CA A 40 GLN C A 41 VAL N 1.0 102.5 144.5 PSI 63 63 A 40 GLN C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -146.2 -75.7 PHI 64 64 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 ASP N 1.0 101.0 149.4 PSI 65 65 A 41 VAL C A 42 ASP N A 42 ASP CA A 42 ASP C 1.0 -135.8 -89.8 PHI 66 66 A 42 ASP N A 42 ASP CA A 42 ASP C A 43 PHE N 1.0 94.9 175.2 PSI 67 67 A 42 ASP C A 43 PHE N A 43 PHE CA A 43 PHE C 1.0 -146.8 -54.0 PHI 68 68 A 43 PHE N A 43 PHE CA A 43 PHE C A 44 PRO N 1.0 66.5 184.4 PSI 69 69 A 44 PRO C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 67.0 88.0 PHI 70 70 A 45 GLY N A 45 GLY CA A 45 GLY C A 46 SER N 1.0 -22.5 31.1 PSI 71 71 A 45 GLY C A 46 SER N A 46 SER CA A 46 SER C 1.0 -155.0 -46.2 PHI 72 72 A 46 SER N A 46 SER CA A 46 SER C A 47 ARG N 1.0 118.5 210.0 PSI 73 73 A 46 SER C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -117.5 -36.1 PHI 74 74 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 SER N 1.0 -54.4 19.1 PSI 75 75 A 47 ARG C A 48 SER N A 48 SER CA A 48 SER C 1.0 -142.7 -56.8 PHI 76 76 A 48 SER N A 48 SER CA A 48 SER C A 49 LYS N 1.0 98.8 175.9 PSI 77 77 A 48 SER C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -171.1 -101.1 PHI 78 78 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 ALA N 1.0 140.8 169.3 PSI 79 79 A 49 LYS C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -180.9 -93.6 PHI 80 80 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 TYR N 1.0 117.6 177.4 PSI 81 81 A 50 ALA C A 51 TYR N A 51 TYR CA A 51 TYR C 1.0 -130.4 -79.9 PHI 82 82 A 51 TYR N A 51 TYR CA A 51 TYR C A 52 VAL N 1.0 98.8 168.9 PSI 83 83 A 51 TYR C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -163.4 -91.7 PHI 84 84 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 PRO N 1.0 106.3 189.7 PSI 85 85 A 53 PRO C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -82.9 -42.8 PHI 86 86 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 GLU N 1.0 -60.4 2.7 PSI 87 87 A 54 VAL C A 55 GLU N A 55 GLU CA A 55 GLU C 1.0 -105.1 -40.0 PHI 88 88 A 55 GLU N A 55 GLU CA A 55 GLU C A 56 ALA N 1.0 -55.7 12.1 PSI 89 89 A 55 GLU C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -140.3 -44.5 PHI 90 90 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 PRO N 1.0 70.7 166.7 PSI 91 91 A 57 PRO C A 58 HIS N A 58 HIS CA A 58 HIS C 1.0 -80.4 -52.3 PHI 92 92 A 58 HIS N A 58 HIS CA A 58 HIS C A 59 SER N 1.0 -59.5 0.1 PSI 93 93 A 58 HIS C A 59 SER N A 59 SER CA A 59 SER C 1.0 -83.2 -48.5 PHI 94 94 A 59 SER N A 59 SER CA A 59 SER C A 60 VAL N 1.0 -48.8 -7.4 PSI 95 95 A 59 SER C A 60 VAL N A 60 VAL CA A 60 VAL C 1.0 -137.1 -72.7 PHI 96 96 A 60 VAL N A 60 VAL CA A 60 VAL C A 61 GLY N 1.0 -32.4 37.0 PSI 97 97 A 60 VAL C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 54.2 106.6 PHI 98 98 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 LEU N 1.0 -13.6 35.5 PSI 99 99 A 61 GLY C A 62 LEU N A 62 LEU CA A 62 LEU C 1.0 -115.4 -62.4 PHI 100 100 A 62 LEU N A 62 LEU CA A 62 LEU C A 63 ARG N 1.0 114.0 168.8 PSI 101 101 A 62 LEU C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -152.9 -92.9 PHI 102 102 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 LYS N 1.0 115.1 183.1 PSI 103 103 A 63 ARG C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -99.6 -55.5 PHI 104 104 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 ALA N 1.0 121.5 158.3 PSI 105 105 A 64 LYS C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -183.8 -24.8 PHI 106 106 A 65 ALA C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -177.3 -36.8 PHI 107 107 A 66 LEU C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -147.4 -22.4 PHI 108 108 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 PRO N 1.0 126.0 169.4 PSI 109 109 A 68 PRO C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -154.1 -27.5 PHI stop_ save_